SCHEMBL2234415

SCHEMBL2234415

O=Cc1ccc(C=CCOc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
PPARG P37231 3/20 0.49
IDO1 P14902 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2A6 P11509 1/20 0.45
RELA Q04206 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
SCHEMBL2234412 1.00 AOC3 (0.50) AOC3MAOAMAOBPPARGIDO1
SCHEMBL9522633 0.95 PPARG (0.55) MAOAMAOBPPARGIDO1KMT2A
SCHEMBL9522631 0.95 PPARG (0.55) MAOAMAOBPPARGIDO1KMT2A
SCHEMBL1158152 0.87 IDO1 (0.61) AOC3MAOAMAOBPPARGIDO1
SCHEMBL11426742 0.87 IDO1 (0.61) AOC3MAOAMAOBPPARGIDO1
SCHEMBL1158153 0.87 IDO1 (0.61) AOC3MAOAMAOBPPARGIDO1
SCHEMBL9155994 0.86 RAB9A (0.57) MAOAMAOBPPARGPPARAPPARD
SCHEMBL30763489 0.85 MAOA (0.62) MAOAMAOBIDO1RAB9ANPC1
SCHEMBL24372558 0.84 AOC3 (0.52) AOC3MAOAMAOBPPARGIDO1
SCHEMBL13582586 0.83 ALDH1A1 (0.63) MAOBALDH1A1KDM4ESMN1; SMN2CYP2A6

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 11 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
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 EP disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 WO disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 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 (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 AOC3 865/4885MAOA 2362/4885MAOB 783/4885

“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.