SCHEMBL962254

SCHEMBL962254

Cc1ccc2c(ccn2-c2c(/C=C/C(=O)O)c(C)nn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
PLA2G4A P47712 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
ROCK1 Q13464 1/20 0.37
FABP4 P15090 2/20 0.36
MAPT P10636 3/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL962255 1.00 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962977 0.89 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962501 0.89 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962979 0.89 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962500 0.89 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL961757 0.88 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL961756 0.88 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962733 0.86 CCNC (0.43) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL962692 0.86 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962694 0.86 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2

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 76/4885L3MBTL1 2943/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885L3MBTL1 3858/4885

“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.