SCHEMBL2354427

SCHEMBL2354427

Cc1cc(Oc2ccc(O)cn2)ccc1/C=C/C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
PPARG P37231 2/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MIF P14174 1/20 0.42
RHOA P61586 1/20 0.41
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
SCN9A Q15858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13581749 1.00 ESR1 (0.52) ESR1PPARGPPARDPPARAMIF
SCHEMBL13582441 0.87 KDM4E (0.56) ESR1PPARGPPARDPPARARHOA
SCHEMBL13582444 0.87 KDM4E (0.56) ESR1PPARGPPARDPPARARHOA
SCHEMBL2232523 0.83 PPARG (0.47) ESR1PPARGPPARDPPARAKDM4E
SCHEMBL2232514 0.83 PPARG (0.47) ESR1PPARGPPARDPPARAKDM4E
SCHEMBL13582313 0.83 MAPT (0.50) ESR1PPARGPPARDPPARAKDM4E
SCHEMBL13582316 0.83 MAPT (0.50) ESR1PPARGPPARDPPARAKDM4E
SCHEMBL2233135 0.82 ESR1 (0.48) ESR1
SCHEMBL13583005 0.81 PLA2G1B (0.41) ESR1MIFKDM4ESMN1; SMN2
SCHEMBL13583008 0.81 PLA2G1B (0.41) ESR1MIFKDM4ESMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO 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 (1 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 ESR1 666/4885PPARG 633/4885PPARD 1318/4885

“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.