SCHEMBL205244

SCHEMBL205244

COc1ccc2c(C(C)C(=O)O)coc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
APOBEC3A P31941 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
ALDH1A1 P00352 3/20 0.50
PIN1 Q13526 1/20 0.50
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49

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
SCHEMBL17431383 0.87 NPC1 (0.49) POLBAPOBEC3ACTDSP1APOBEC3GRAB9A
SCHEMBL4143937 0.82 AKR1C3 (0.52) POLBAPOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL23135513 0.82 PIN1 (0.54) POLBAPOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL205724 0.81 KDM4E (0.46) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL20588783 0.79 PTGS2 (0.44) KMT2AMEN1MAPTPTGS2PTGS1
SCHEMBL1390473 0.79 PPARA (0.50) POLBALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL17431417 0.78 POLB (0.40) POLBAPOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL5447303 0.77 ALDH1A1 (0.50) POLBAPOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL5762115 0.77 MAOB (0.49) POLBPTGS2PTGS1
SCHEMBL25447343 0.77 PIN1 (0.49) POLBAPOBEC3ACTDSP1APOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431367-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2012-03-21 EP disclosed
US-20120046338-A1 FUSED CYCLIC COMPOUNDS YASUMA TSUNEO (JP) 2012-02-23 US disclosed
EP-2041123-B1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-02-01 EP disclosed
US-8088821-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-03 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 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-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 POLB 4760/4885APOBEC3A 4884/4885CTDSP1 4323/4885
US-20120046338-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 POLB 4760/4885APOBEC3A 4884/4885CTDSP1 4323/4885

“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.