SCHEMBL5140182

SCHEMBL5140182

Fc1ccccc1C(F)OC(F)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
TDO2 P48775 2/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35
ESR1 P03372 1/20 0.34
CNR2 P34972 1/20 0.34
NFE2L2 Q16236 1/20 0.33
HDAC4 P56524 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL27484463 0.76 IDO1 (0.41) IDO1TDO2CES2CES1CYP3A4
SCHEMBL29768740 0.76 IDO1 (0.43) IDO1TDO2CES2CES1CYP3A4
SCHEMBL1999868 0.76 IDO1 (0.43) IDO1TDO2CES2CES1CYP3A4
SCHEMBL30057873 0.74 CES2 (0.52) IDO1TDO2CES2CES1CYP3A4
SCHEMBL1902230 0.74 CES2 (0.52) IDO1TDO2CES2CES1CYP3A4
SCHEMBL3454906 0.73 IDO1 (0.42) IDO1TDO2CES2CES1CYP3A4
SCHEMBL4837075 0.73 IDO1 (0.38) IDO1TDO2CES2CES1CYP3A4
SCHEMBL29244266 0.73 IDO1 (0.42) IDO1TDO2CES2CES1CYP3A4
SCHEMBL27668701 0.73 MEN1 (0.49) IDO1TDO2CES2CES1CYP3A4
SCHEMBL2066940 0.73 IDO1 (0.45) IDO1TDO2CES2CES1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183075-C Benzene derivative and its prepn. method �����ɷ� 2005-01-05 CN claimed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US claimed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN claimed
JP-10017544-A None JP disclosed
CN-110240587-B Aryl difluoro benzyl ether compounds, preparation method and application 中国科学院上海药物研究所 2022-01-04 CN disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
CN-101360513-A Biodegradable and thermosensitive poly(organophosphazene) hydrogel, preparation method thereof and use thereof KOREA INST SCI & TECH (KR) 2009-02-04 CN disclosed
US-7326447-B2 Benzochromene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-05 US disclosed
US-20060177603-A1 Benzochromene derivatives MERCK PATENT GMBH (DE) 2006-08-10 US disclosed
CN-1183075-C Benzene derivative and its prepn. method �����ɷ� 2005-01-05 CN disclosed
CN-1183075-C Benzene derivative and its prepn. method �����ɷ� 2005-01-05 CN disclosed
JP-2003261478-A METHOD FOR PRODUCING DIFLUOROBENZYL BROMIDE DERIVATIVE AND DIFLUOROBENZYL ETHER DERIVATIVE SEIMI CHEM CO LTD 2003-09-16 JP disclosed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US disclosed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US disclosed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN disclosed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN disclosed
JP-2000095715-A BENZENE DERIVATIVE AND ITS PRODUCTION CHISSO CORP 2000-04-04 JP disclosed
JP-H1017544-A THION-O-ESTER DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1998-01-20 JP disclosed
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 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 (2 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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL IDO1 1990/4885TDO2 882/4885CES2 583/4885
US-20060177603-A1 Benzochromene derivatives SBDS, CCND2, DDT IDO1 1693/4885TDO2 194/4885CES2 1225/4885

“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.