SCHEMBL1328898

SCHEMBL1328898

CCOc1cccc(OCc2ccc(-c3c(CC)cccc3CC)nc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MTNR1A P48039 2/20 0.36
DHFR P00374 1/20 0.36
MAPK1 P28482 4/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1329619 0.89 CCNB2 (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1328705 0.86 PTGER4 (0.47) BRD4BRD2CREBBPCCNB2CDK1
SCHEMBL1329430 0.86 ALOX5 (0.42) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1328775 0.86 POLB (0.41) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327752 0.86 RXFP1 (0.35) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329129 0.85 CYSLTR2 (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327287 0.82 BRD4 (0.39) BRD4BRD2CREBBPCCNB2CDK1
SCHEMBL1329240 0.81 FFAR1 (0.41) MAPTPPARGFFAR1MAOB
SCHEMBL1328338 0.81 C5AR1 (0.41) TP53MAPTLMNAKDM4EMAPK1
SCHEMBL1327230 0.78 FFAR1 (0.35) MAPTLMNARAB9AL3MBTL1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 BRD4 1280/4885BRD2 2366/4885CREBBP 2763/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 BRD4 1280/4885BRD2 2366/4885CREBBP 2763/4885

“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.