SCHEMBL2233336

SCHEMBL2233336

CC(C)c1ccc(CCOc2ccc(C=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.58
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
PPARD Q03181 1/20 0.51
RAB9A P51151 3/20 0.46
ALDH1A3 P47895 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL2232181 1.00 TYR (0.58) TYRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2231417 0.93 ALDH1A1 (0.59) TYRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4052107 0.85 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL4052995 0.84 RXRA (0.61) TYRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4048858 0.84 RXRA (0.61) TYRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2232274 0.83 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL2231514 0.83 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL2231854 0.83 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL2231178 0.83 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL2232493 0.83 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTHPGD

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 TYR 154/4885ALDH1A1 314/4885LMNA 2547/4885

“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.