SCHEMBL1330106

SCHEMBL1330106

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 8/20 0.42
MCL1 Q07820 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL1330137 0.96 C5AR1 (0.40) C5AR1MCL1NR1H4MAPTHPGD
SCHEMBL1327844 0.93 C5AR1 (0.39) C5AR1MCL1MAPTSMN1; SMN2HPGD
SCHEMBL1328527 0.93 GABRA1 (0.40) C5AR1MCL1NR1H4FFAR4
SCHEMBL1329505 0.92 MCL1 (0.39) C5AR1MCL1MAPTPOLBPKM
SCHEMBL1327672 0.91 C5AR1 (0.39) C5AR1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL1327730 0.91 C5AR1 (0.42) C5AR1POLBHTTFFAR4NPSR1
SCHEMBL1328212 0.91 C5AR1 (0.38) C5AR1MCL1NR1H4MAPTPOLB
SCHEMBL1329981 0.90 C5AR1 (0.40) C5AR1NR1H4MAPTHPGDTSHR
SCHEMBL1327238 0.90 C5AR1 (0.40) C5AR1NR1H4MAPTSMN1; SMN2PPARG
SCHEMBL1328471 0.90 C5AR1 (0.39) C5AR1MAPTSMN1; SMN2HPGDTSHR

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 3455/4885NR1H4 543/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MCL1 3455/4885NR1H4 543/4885

“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.