SCHEMBL1329437

SCHEMBL1329437

CCc1cccc(CC)c1-c1cc(C)c(COc2ccc(C)c(C)c2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 4/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1329280 0.90 C5AR1 (0.46) C5AR1MAPTTSHR
SCHEMBL1328403 0.90 MRGPRX4 (0.44) C5AR1MAPTPOLBTP53L3MBTL1
SCHEMBL1329518 0.90 PPARG (0.38) C5AR1POLBTDP1L3MBTL1TSHR
SCHEMBL1329374 0.89 ALOX5 (0.40) C5AR1MAPTPOLBTP53MAPK1
SCHEMBL1327866 0.89 C5AR1 (0.39) C5AR1MAPTALDH1A1
SCHEMBL1327287 0.88 BRD4 (0.39) C5AR1MAPTTP53MAPK1L3MBTL1
SCHEMBL1328708 0.88 C5AR1 (0.40) C5AR1MAPTPOLBL3MBTL1RAB9A
SCHEMBL1327637 0.87 L3MBTL1 (0.40) C5AR1MAPTPOLBL3MBTL1RAB9A
SCHEMBL1328305 0.87 MRGPRX4 (0.42) C5AR1MAPTPOLBTP53L3MBTL1
SCHEMBL1329407 0.87 C5AR1 (0.38) C5AR1MAPTPOLBESR1TP53

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 2/4885MAPT 4726/4885POLB 4733/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MAPT 4726/4885POLB 4733/4885

“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.