SCHEMBL1327583

SCHEMBL1327583

CCCc1ccc(OCc2c(OC)cc(-c3c(CC)cccc3CC)nc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
C5AR1 P21730 14/20 0.41
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 2/20 0.37
VDR P11473 2/20 0.37

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
SCHEMBL1329418 0.94 C5AR1 (0.40) FFAR1C5AR1TP53MAPTPPARD
SCHEMBL1329576 0.90 ABCB1 (0.41) C5AR1MAPT
SCHEMBL1327189 0.89 FFAR1 (0.39) FFAR1C5AR1
SCHEMBL1328738 0.89 C5AR1 (0.39) FFAR1C5AR1MAPTPPARD
SCHEMBL1329431 0.88 C5AR1 (0.40) FFAR1C5AR1PPARD
SCHEMBL1330008 0.88 C5AR1 (0.44) C5AR1
SCHEMBL1330475 0.86 C5AR1 (0.41) C5AR1
SCHEMBL1329280 0.84 C5AR1 (0.46) C5AR1MAPT
SCHEMBL1328066 0.84 C5AR1 (0.42) C5AR1MAPT
SCHEMBL1327289 0.84 C5AR1 (0.41) C5AR1

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 FFAR1 108/4885C5AR1 2/4885TP53 3878/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR1 108/4885C5AR1 2/4885TP53 3878/4885

“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.