SCHEMBL1327786

SCHEMBL1327786

CCc1cccc(CC)c1-c1cc(C)c(COc2ccc3ccc(OC)cc3c2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 12/20 0.41
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
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
SCHEMBL1329374 0.92 ALOX5 (0.40) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1327671 0.91 C5AR1 (0.46) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1329504 0.86 C5AR1 (0.41) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1329437 0.86 C5AR1 (0.39) C5AR1RAB9AKDM4EALDH1A1TP53
SCHEMBL1328066 0.85 C5AR1 (0.42) C5AR1KDM4EALDH1A1LMNAHPGD
SCHEMBL1327287 0.84 BRD4 (0.39) C5AR1KDM4EALDH1A1LMNATP53
SCHEMBL1328708 0.83 C5AR1 (0.40) C5AR1RAB9AKDM4ELMNAHPGD
SCHEMBL1328403 0.83 MRGPRX4 (0.44) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1327637 0.83 L3MBTL1 (0.40) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1329518 0.83 PPARG (0.38) C5AR1TSHR

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 C5AR1 2/4885RAB9A 736/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885RAB9A 736/4885KDM4E 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.