SCHEMBL96131

SCHEMBL96131

OCc1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
RIPK1 Q13546 1/20 0.36
ERN1 O75460 1/20 0.34
CNR1 P21554 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15545063 0.83 CNR1 (0.35) CES2CES1TAAR1RIPK1CNR1
SCHEMBL29921242 0.83 MAPT (0.38) CES2CES1TAAR1RIPK1ALDH1A1
SCHEMBL18804780 0.83 RAPGEF4 (0.36) CES2CES1TAAR1RIPK1CYP4F2
SCHEMBL23835482 0.83 MAPT (0.38) CES2CES1TAAR1RIPK1ALDH1A1
SCHEMBL523766 0.80 ACHE (0.43) TAAR1CYP4F2CYP4A11
SCHEMBL4048403 0.80 TAAR1 (0.58) TAAR1CA9CA12CA1
SCHEMBL3082888 0.78 TSHR (0.35) TAAR1CNR1ALDH1A1
SCHEMBL378361 0.78 TAAR1 (0.34) TAAR1GPR17
SCHEMBL19834532 0.78 TAAR1 (0.34) TAAR1GPR17
SCHEMBL24395252 0.78 TAAR1 (0.39) TAAR1ACVRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126076-A Preparation method of 2,4, 6-trifluorobenzyl cyanide 清源创新实验室 2023-11-28 CN claimed
CN-104610068-B A kind of preparation method of 2,4,6-trifluoro benzylamine compound ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2016-03-09 CN claimed
CN-104610068-A Preparation method of 2,4,6-trifluoro-benzylamine compound ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2015-05-13 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US claimed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US claimed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US claimed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US claimed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
CN-119912461-A Disubstituted ester porphyrin derivatives, preparation method thereof and application thereof as photosensitizer 上海光声制药有限公司 2025-05-02 CN disclosed
US-4275250-A CHEMICAL INTERMEDIATES FOR VINYLCYCLOPROPANE CARBOXYLIC ACID ESTERS OF HALOGENATED BENZYL ALCOHOL WHICH ARE ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-06-23 US disclosed
US-4183950-A Combating arthropods with 2,2-dimethyl-3-vinyl-cyclopropane carboxylic acid esters of halogenated benzyl alcohols BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP CES2 156/4885CES1 23/4885TAAR1 2325/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP CES2 161/4885CES1 30/4885TAAR1 1955/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CES2 168/4885CES1 23/4885TAAR1 2264/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CES2 111/4885CES1 16/4885TAAR1 2328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.