SCHEMBL1329431

SCHEMBL1329431

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cc3ccccc3)cc2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.39
BCHE P06276 1/20 0.39
PLA2G2A P14555 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL1330008 0.91 C5AR1 (0.44) C5AR1
SCHEMBL1330475 0.89 C5AR1 (0.41) C5AR1
SCHEMBL1329505 0.89 MCL1 (0.39) C5AR1L3MBTL1LTA4HBCHESMN1; SMN2
SCHEMBL1327583 0.88 FFAR1 (0.41) C5AR1FFAR1PPARD
SCHEMBL1329418 0.86 C5AR1 (0.40) C5AR1FFAR1PPARD
SCHEMBL1328066 0.86 C5AR1 (0.42) C5AR1POLB
SCHEMBL1329109 0.84 C5AR1 (0.41) C5AR1MEN1KMT2APPARD
SCHEMBL1328747 0.84 C5AR1 (0.46) C5AR1
SCHEMBL1329280 0.84 C5AR1 (0.46) C5AR1
SCHEMBL1327289 0.83 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 C5AR1 2/4885L3MBTL1 3202/4885LTA4H 487/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885L3MBTL1 3202/4885LTA4H 487/4885

“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.