SCHEMBL160927

SCHEMBL160927

CCOc1[c]ccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL8408655 0.85 NQO1 (0.30) NQO1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL5754501 0.85 HTR2C (0.35) HTTTUBB1
SCHEMBL13723603 0.84 NCF1 (0.34) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL159471 0.83 TSHR (0.36) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL13722888 0.82 NR5A1 (0.36) HTT
SCHEMBL28130967 0.81 PTPN1 (0.31)
SCHEMBL13723015 0.80 NR5A1 (0.39)
SCHEMBL13722453 0.79 SQOR (0.32)
SCHEMBL13723687 0.79 ALDH1A1 (0.35)
SCHEMBL13723489 0.78 HTR2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
CN-113549018-B Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN claimed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US claimed
CN-112010844-B Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2023-07-25 CN claimed
CN-113549018-A Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-10-26 CN claimed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP claimed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO claimed
CN-112010844-A Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2020-12-01 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US claimed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO claimed
JP-2625190-B2 1997-07-02 JP claimed
EP-0296316-B1 1,4-DIHYDROPYRIDINE ENANTIOMERS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-09-01 EP claimed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US claimed
EP-0343193-A1 1,4-DIHYDROPYRIDINE ENANTIOMERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-11-29 EP claimed
EP-0296316-A1 1,4-Dihydropyridine enantiomers Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1988-12-28 EP claimed
WO-1988007531-A1 NEW OPTICALLY ACTIVE COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-10-06 WO claimed
WO-1988007525-A1 1,4-DIHYDROPYRIDINE ENANTIOMERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-10-06 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NQO1 785/4885L3MBTL1 4109/4885CYP1A2 116/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 NQO1 1027/4885L3MBTL1 4017/4885CYP1A2 103/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885L3MBTL1 2990/4885CYP1A2 1024/4885

“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.