SCHEMBL1329104

SCHEMBL1329104

CCCc1cccc(OCc2c(C)cc(-c3c(CC)cccc3CC)nc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.41
DHFR P00374 1/20 0.38
C5AR1 P21730 1/20 0.36
SOD1 P00441 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
BCHE P06276 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ABCB1 P08183 3/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34

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
SCHEMBL1327189 0.90 FFAR1 (0.39) C5AR1
SCHEMBL1329576 0.89 ABCB1 (0.41) SLC22A12C5AR1BCHEABCB1HTR1A
SCHEMBL1327783 0.86 C5AR1 (0.39) SLC22A12DHFRC5AR1SOD1PPARG
SCHEMBL1327287 0.86 BRD4 (0.39) SLC22A12DHFRC5AR1CYSLTR2CYSLTR1
SCHEMBL1328708 0.86 C5AR1 (0.40) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1329129 0.84 CYSLTR2 (0.38) SLC22A12DHFRSOD1PPARGPPARA
SCHEMBL1329437 0.84 C5AR1 (0.39) C5AR1
SCHEMBL1328454 0.83 CCNB2 (0.37) C5AR1PPARGCCNB2CDK1CDK4
SCHEMBL1327497 0.83 PTGER4 (0.43) SLC22A12DHFRC5AR1SOD1CCNB2
SCHEMBL1329374 0.83 ALOX5 (0.40) C5AR1CCNB2CDK1CDK4CCNB1

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 SLC22A12 4405/4885DHFR 2186/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SLC22A12 4405/4885DHFR 2186/4885C5AR1 2/4885

“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.