SCHEMBL3920792

SCHEMBL3920792

CCOC(=O)C(F)(F)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 4/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
BLM P54132 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL28033792 0.88 HDAC4 (0.47) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL3629075 0.87 LMNA (0.50) ALDH1A1RECQLMMP8MAPTHDAC4
SCHEMBL10021176 0.85 ALDH1A1 (0.42) ALDH1A1RECQLMMP8THRBHDAC4
SCHEMBL25223158 0.85 CYP3A4 (0.53) ALDH1A1RECQLMMP8MAPTHDAC4
SCHEMBL27167976 0.85 LMNA (0.46) ALDH1A1RECQLMMP8MAPTHDAC4
SCHEMBL2010765 0.85 ALDH1A1 (0.59) ALDH1A1RECQLMMP8MAPTTHRB
SCHEMBL3912206 0.84 ALDH1A1 (0.53) ALDH1A1MAPTHDAC4HDAC6KMT2A
SCHEMBL6383320 0.81 BLM (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL8486868 0.81 ESR1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL31275152 0.80 LMNA (0.46) ALDH1A1MAPTKMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
EP-1697339-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
US-6924391-B2 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 US disclosed
WO-2005063729-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-03-28 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 (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-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R ESR1 387/4885ESR2 1099/4885CA12 4077/4885
US-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B ESR1 2866/4885ESR2 677/4885CA12 4011/4885
US-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 ESR1 317/4885ESR2 1025/4885CA12 4405/4885

“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.