SCHEMBL7657209

SCHEMBL7657209

Cc1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.35
AR P10275 5/20 0.34
TSHR P16473 2/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL19267577 0.91 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL13550107 0.87 RAPGEF4 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL21892211 0.85 ALDH1A1 (0.33) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL19267572 0.84 SMN1; SMN2 (0.41) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL15187675 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL18272233 0.80 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL91657 0.80 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL26712936 0.79 SMN1; SMN2 (0.41) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL26712772 0.79 SMN1; SMN2 (0.41) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL25613962 0.78 AR (0.32) POLBALDH1A1ARTSHRPGK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
US-20230363195-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-20230345751-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-26 US disclosed
US-20230329022-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20230329024-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
WO-2023163001-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-31 WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
WO-2022263497-A1 ORGANIC ELECTRONIC DEVICES COMPRISING BIS(((Z)-3-(4-CYANO-3,5-BIS(TRIFLUOROMETHYL)PHENYL)-4-OXOPENT-2-EN-2-YL)OXY)COPPER(II) OR THE CORRESPONDING ALUMINIUM(III) OR IRON(III) COMPLEXES OR SIMILAR COMPLEXES NOVALED GMBH (DE) 2022-12-22 WO disclosed
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-23 US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
WO-2019078620-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
WO-2013058613-A2 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT 한국생명공학연구원 (KR) 2013-04-25 WO disclosed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 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 (4 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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET SMN1; SMN2 499/4885POLB 1855/4885ALDH1A1 4214/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 SMN1; SMN2 3022/4885POLB 4679/4885ALDH1A1 740/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A SMN1; SMN2 548/4885POLB 1879/4885ALDH1A1 3399/4885
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME C1S, CBR3, CCNL2 SMN1; SMN2 3242/4885POLB 2205/4885ALDH1A1 979/4885

“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.