SCHEMBL1328454

SCHEMBL1328454

CCc1cccc(CC)c1-c1cc(C)c(COc2cccc(Oc3ccccc3)c2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
C5AR1 P21730 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX3 P56373 2/20 0.36
PPARG P37231 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MAOB P27338 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
SCHEMBL1328708 0.92 C5AR1 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327287 0.90 BRD4 (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329109 0.89 C5AR1 (0.41) C5AR1KDM4EALDH1A1MAOB
SCHEMBL1327497 0.89 PTGER4 (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327844 0.86 C5AR1 (0.39) C5AR1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1329374 0.86 ALOX5 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329437 0.85 C5AR1 (0.39) C5AR1KDM4EALDH1A1MAPTTP53
SCHEMBL1329619 0.84 CCNB2 (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327866 0.83 C5AR1 (0.39) C5AR1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL1328223 0.83 C5AR1 (0.39) C5AR1KDM4ESMN1; SMN2MAPT

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 CCNB2 2200/4885CDK1 1149/4885CDK4 2317/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CCNB2 2200/4885CDK1 1149/4885CDK4 2317/4885

“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.