SCHEMBL963158

SCHEMBL963158

Cc1nn(C)c(-n2ccc3ccc(OCc4ccccc4)cc32)c1C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.47
PTGDR Q13258 1/20 0.47
SRD5A2 P31213 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ROCK1 Q13464 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTR7 P34969 1/20 0.40
GAA P10253 1/20 0.39
BCL2 P10415 2/20 0.39
MCL1 Q07820 2/20 0.39
P2RX3 P56373 2/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALOX5 P09917 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
SCHEMBL963155 1.00 PTGER3 (0.47) PTGER3PTGDRSRD5A2MEN1KMT2A
SCHEMBL966155 0.91 MEN1 (0.44) PTGER3PTGDRSRD5A2MEN1KMT2A
SCHEMBL966253 0.89 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL966251 0.89 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL965949 0.88 NPC1 (0.53) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL4553461 0.87 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4553457 0.87 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL965630 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1GAAMCL1
SCHEMBL965631 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1GAAMCL1
SCHEMBL966513 0.86 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1

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 PTGER3 2949/4885PTGDR 2139/4885SRD5A2 450/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTGER3 456/4885PTGDR 138/4885SRD5A2 511/4885

“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.