SCHEMBL2232877

SCHEMBL2232877

O=Cc1ccc(CCOc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 5/20 0.49
MAOA P21397 2/20 0.49
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.45
LTA4H P09960 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL4048717 1.00 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2235851 0.93 ALDH1A1 (0.59) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7630422 0.92 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL4186158 0.87 ALDH1A1 (0.64) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL15079869 0.85 MAOB (0.58) L3MBTL1MAOBMAOARAB9AFFAR1
SCHEMBL7996783 0.85 MAPT (0.57) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2232493 0.85 ALDH1A1 (0.63) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2231514 0.85 ALDH1A1 (0.63) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2231854 0.85 ALDH1A1 (0.61) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2231178 0.85 ALDH1A1 (0.66) ALDH1A1MAPTHPGDLMNASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791690-B As the disubstituted pyridines derivative of anticarcinogen OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-02 CN disclosed
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
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 CN 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 ALDH1A1 314/4885MAPT 4703/4885HPGD 652/4885

“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.