SCHEMBL1329374

SCHEMBL1329374

CCc1cccc(CC)c1-c1cc(C)c(COc2ccc3ccccc3c2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
LMNA P02545 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPT P10636 5/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
C5AR1 P21730 1/20 0.38
RAB9A P51151 3/20 0.37

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
SCHEMBL1327786 0.92 C5AR1 (0.41) LMNAKDM4EALDH1A1MAPTCYP1A2
SCHEMBL1329437 0.89 C5AR1 (0.39) KDM4EALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL1328708 0.89 C5AR1 (0.40) LMNAKDM4ECCNB2CDK1CDK4
SCHEMBL1328066 0.88 C5AR1 (0.42) LMNAKDM4EALDH1A1MAPTC5AR1
SCHEMBL1327287 0.87 BRD4 (0.39) LMNAKDM4EALDH1A1CCNB2CDK1
SCHEMBL1328454 0.86 CCNB2 (0.37) LMNAKDM4EALDH1A1CCNB2CDK1
SCHEMBL1329518 0.86 PPARG (0.38) MRGPRX4C5AR1POLB
SCHEMBL1328403 0.86 MRGPRX4 (0.44) LMNAKDM4EALDH1A1MAPTMRGPRX4
SCHEMBL1327637 0.86 L3MBTL1 (0.40) LMNAKDM4EALDH1A1MAPTMRGPRX4
SCHEMBL1327497 0.86 PTGER4 (0.43) CCNB2CDK1CDK4CCNB1CCND1

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 ALOX5 1038/4885LMNA 3672/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALOX5 1038/4885LMNA 3672/4885KDM4E 2088/4885

“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.