SCHEMBL2236064

SCHEMBL2236064

CC(C)c1ccc(Oc2ccc3cc(C=O)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A3 P47895 1/20 0.36
SCN9A Q15858 5/20 0.34
PDE4B Q07343 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
GMNN O75496 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
SCHEMBL2233220 0.85 ALDH1A1 (0.50) TYRKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL17942217 0.79 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1MAPTMCHR1
SCHEMBL2233201 0.76 NPBWR1 (0.41) KDM4EALDH1A1NPBWR1MCHR1SCN9A
SCHEMBL16838777 0.76 KDM4E (0.70) TYRKDM4EALDH1A1L3MBTL1NPBWR1
SCHEMBL30879446 0.76 KDM4E (0.70) TYRKDM4EALDH1A1L3MBTL1NPBWR1
SCHEMBL2232061 0.76 PDE4B (0.57) KDM4EALDH1A1L3MBTL1MAPTPDE4B
SCHEMBL4586476 0.75 ALDH1A1 (0.46) ALDH1A1MAPTALDH1A3CYP1A2HPGD
SCHEMBL30081464 0.75 ALDH1A1 (0.46) ALDH1A1MAPTALDH1A3CYP1A2HPGD
SCHEMBL27232497 0.75 TYR (0.76) TYRKDM4EALDH1A1MAPTNPBWR1
SCHEMBL14270984 0.75 TYR (0.63) TYRKDM4EALDH1A1ALDH1A3

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 8 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
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 TYR 154/4885KDM4E 719/4885ALDH1A1 314/4885

“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.