SCHEMBL901880

SCHEMBL901880

CCOC(=O)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.55
THRB P10828 2/20 0.54
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
FFAR1 O14842 2/20 0.51
SYK P43405 2/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.48
THRA P10827 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL11255205 0.89 HDAC1 (0.52) FFAR4THRBALDH1A1SMN1; SMN2CYP4F2
SCHEMBL8463028 0.89 FFAR4 (0.51) FFAR4THRBALDH1A1SMN1; SMN2FFAR1
SCHEMBL16839696 0.87 KDM4E (0.55) FFAR4THRBALDH1A1SMN1; SMN2SYK
SCHEMBL12993012 0.87 CYP4F2 (0.53) FFAR4ALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL7062738 0.86 FFAR4 (0.53) FFAR4THRBALDH1A1SMN1; SMN2FFAR1
SCHEMBL11249779 0.86 FFAR1 (0.71) FFAR4THRBALDH1A1CYP4F2CYP4A11
SCHEMBL30645136 0.85 FFAR4 (0.54) FFAR4THRBALDH1A1SMN1; SMN2FFAR1
SCHEMBL365306 0.85 FFAR4 (0.54) FFAR4THRBALDH1A1SMN1; SMN2FFAR1
SCHEMBL701131 0.85 ALDH1A1 (0.61) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL4425984 0.85 CYP4F2 (0.64) ALDH1A1CYP4F2CYP4A11SYKALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831324-A A kind of preparation method of m-trifluoromethylphenyl propyl alcohol 四川什邡市三高生化实业有限公司 2017-06-13 CN disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
CN-103328479-A 7-hydroxy-pyrazolo [1,5-a ] pyrimidine compounds and their use as CCR2 receptor antagonists PROXIMAGEN LTD 2013-09-25 CN disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 EP disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
CN-102079697-A Preparation method of aryl propionic acid derivative SINOCHEM GROUP CO LTD 2011-06-01 CN disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
EP-1056734-A2 SUBSTITUTED ALXOXYCARBONYL COMPOUNDS BAYER AG (DE) 2000-12-06 EP disclosed
WO-1999042457-A2 SUBSTITUTED ALXOXYCARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-26 WO disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0007232-A1 Iso(thio)ureas, processes for their preparation and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-23 EP disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP disclosed
US-4159329-A BLOCKING AGENTS, ANTAGONISTS, ANTIHISTAMINES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1979-06-26 US disclosed
US-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 US disclosed
US-4138577-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138573-A 11-Deoxy-2,2-difluoro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138575-A 11-Deoxy-16-phenoxy-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138576-A 11-Deoxy-2,2-difluoro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4126754-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1978-11-21 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP FFAR4 4474/4885THRB 1145/4885ALDH1A1 1473/4885
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 FFAR4 317/4885THRB 753/4885ALDH1A1 441/4885

“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.