SCHEMBL961757

SCHEMBL961757

COc1ccc2c(ccn2-c2c(C=CC(=O)O)c(C)nn2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
PLA2G4A P47712 1/20 0.41
ROCK1 Q13464 1/20 0.40
POLB P06746 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HTR6 P50406 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FABP4 P15090 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL961756 1.00 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL966514 0.93 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL966513 0.93 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL962254 0.88 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1PLA2G4A
SCHEMBL962255 0.88 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1PLA2G4A
SCHEMBL962979 0.86 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL962501 0.86 L3MBTL1 (0.50) ALDH1A1GAASMN1; SMN2L3MBTL1PLA2G4A
SCHEMBL962977 0.86 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL962500 0.86 L3MBTL1 (0.50) ALDH1A1GAASMN1; SMN2L3MBTL1PLA2G4A
SCHEMBL967587 0.85 ROCK1 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ALDH1A1 421/4885GAA 76/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885SMN1; SMN2 4710/4885

“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.