SCHEMBL1330137

SCHEMBL1330137

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(Oc3ccccc3)cc2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.40
MCL1 Q07820 3/20 0.37
MAPT P10636 2/20 0.35
LTA4H P09960 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NR1H4 Q96RI1 4/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
GCK P35557 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1330106 0.96 C5AR1 (0.42) C5AR1MCL1MAPTHPGDTSHR
SCHEMBL1327844 0.95 C5AR1 (0.39) C5AR1MCL1MAPTHPGDPPARG
SCHEMBL1329505 0.90 MCL1 (0.39) C5AR1MCL1MAPTLTA4HPPARG
SCHEMBL1328212 0.89 C5AR1 (0.38) C5AR1MCL1MAPTHPGDTSHR
SCHEMBL1328527 0.89 GABRA1 (0.40) C5AR1MCL1NR1H4
SCHEMBL1329981 0.88 C5AR1 (0.40) C5AR1MAPTHPGDTSHRHTT
SCHEMBL1327238 0.88 C5AR1 (0.40) C5AR1MAPTNR1H4PPARGLMNA
SCHEMBL1330475 0.88 C5AR1 (0.41) C5AR1
SCHEMBL1327672 0.87 C5AR1 (0.39) C5AR1MAPTHPGDPPARGLMNA
SCHEMBL1327730 0.87 C5AR1 (0.42) C5AR1HTTLMNA

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 2/4885MCL1 3455/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MCL1 3455/4885MAPT 4726/4885

“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.