SCHEMBL2236069

SCHEMBL2236069

Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
USP14 P54578 1/20 0.34
BACE1 P56817 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PPARA Q07869 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL13582483 0.90 BACE1 (0.35) RXRARXRBRXRGUSP14BACE1
SCHEMBL30079875 0.88 USP14 (0.35) RXRARXRBRXRGUSP14BACE1
SCHEMBL22275629 0.88 USP14 (0.35) RXRARXRBRXRGUSP14BACE1
SCHEMBL30079928 0.88 USP14 (0.35) RXRARXRBRXRGUSP14BACE1
SCHEMBL30080058 0.84 BACE1 (0.36) RXRARXRBRXRGUSP14BACE1
SCHEMBL22275630 0.84 BACE1 (0.36) RXRARXRBRXRGUSP14BACE1
SCHEMBL2876790 0.80 CA2 (0.45) BACE1S1PR1S1PR3PPARACA2
SCHEMBL5871909 0.79 BACE1 (0.36) USP14BACE1PPARACA2
SCHEMBL2356314 0.79 KCNH2 (0.37) RXRARXRBRXRGPPARA
SCHEMBL2854902 0.79 VDR (0.36) USP14BACE1

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 RXRA 2042/4885RXRB 1405/4885RXRG 870/4885

“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.