SCHEMBL2236041

SCHEMBL2236041

CCOC(OCC)c1ccc(C=CCOc2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
PTGS2 P35354 2/20 0.50
PPARA Q07869 7/20 0.49
PPARD Q03181 6/20 0.49
PPARG P37231 6/20 0.49
ESR1 P03372 2/20 0.46
AHR P35869 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL13582310 1.00 BCHE (0.50) BCHEACHEPTGS2PPARAPPARD
SCHEMBL2233622 0.89 ACHE (0.50) BCHEACHEPTGS2PPARAPPARD
SCHEMBL13582141 0.89 ACHE (0.50) BCHEACHEPTGS2PPARAPPARD
SCHEMBL2297379 0.89 BCHE (0.50) BCHEACHEPTGS2PPARAPPARD
SCHEMBL2233023 0.89 BCHE (0.50) BCHEACHEPTGS2PPARAPPARD
SCHEMBL13582745 0.88 BCHE (0.49) BCHEACHEPTGS2PPARAPPARD
SCHEMBL13582750 0.88 BCHE (0.49) BCHEACHEPTGS2PPARAPPARD
SCHEMBL13582725 0.87 PPARA (0.54) BCHEACHEPTGS2PPARAPPARD
SCHEMBL13582727 0.87 PPARA (0.54) BCHEACHEPTGS2PPARAPPARD
SCHEMBL2234180 0.82 ACHE (0.46) BCHEACHEPTGS2PPARAPPARD

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 6 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-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 BCHE 4597/4885ACHE 3669/4885PTGS2 438/4885

“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.