SCHEMBL40631

SCHEMBL40631

C#Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
PTPN1 P18031 1/20 0.41
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR3 P46089 1/20 0.39

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
SCHEMBL19604517 0.94 KIF11 (0.45) MAPTEPHX2KIF11NISCHPTPN22
SCHEMBL25722123 0.83 PTPN1 (0.39) PTPN1HDAC8
SCHEMBL25722119 0.83 PTPN1 (0.39) PTPN1PDE2AACACBHDAC8
SCHEMBL28659226 0.81 ACACB (0.50) MAPTEPHX2PTPN1PDE2AALDH1A1
SCHEMBL15488940 0.81 PTPN1 (0.46) PTPN1KIF11HDAC8
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2PDE2AALDH1A1TSHR
SCHEMBL1862532 0.77 MAPT (0.42) MAPTEPHX2PDE2AALDH1A1TSHR
SCHEMBL9636889 0.77 MAPT (0.42) MAPTEPHX2PDE2AALDH1A1TSHR
SCHEMBL201174 0.77 TRPA1 (0.53) MAPTEPHX2ALDH1A1TSHRMAOB
SCHEMBL27722562 0.77 ACACB (0.44) MAPTEPHX2PTPN1PDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-116003260-B Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof 广州国家实验室 2023-07-18 CN claimed
CN-116003260-A Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof 广州国家实验室 2023-04-25 CN claimed
CN-104087308-B A kind of trifluoromethoxy end substituted diaryl second alkynes liquid crystal compounds and synthetic method thereof XI'AN INST. OF MODERN CHEMISTRY (CN) 2015-12-09 CN claimed
CN-104087308-A Trifluoromethoxy terminal-substituent diaryl acetylene liquid crystal compounds and synthetic method thereof XIAN MODERN CHEMISTRY RES INST 2014-10-08 CN claimed
EP-4722208-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2026-04-08 EP disclosed
US-12550608-B2 Organic light emitting diode and organic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2026-02-10 US disclosed
US-20250338713-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2025-10-30 US disclosed
US-20250318426-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2025-10-09 US disclosed
US-12382826-B2 Organic light emitting diode and organic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2025-08-05 US disclosed
US-12382780-B2 Organic light emitting diode and organic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2025-08-05 US disclosed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN disclosed
US-20010050353-A1 Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-13 US disclosed
US-6232503-B1 MICROBIOCIDES LONZA INC. 2001-05-15 US disclosed
US-5725797-A Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-10 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
US-5370819-A Low viscosity CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
EP-0306521-A1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 EP disclosed
WO-1988007516-A1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO 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 (1 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-12550608-B2 Organic light emitting diode and organic light emitting device including the same HCN1, HCN4, HCN2 MAPT 4537/4885EPHX2 1132/4885PTPN1 4606/4885

“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.