SCHEMBL1327952

SCHEMBL1327952

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)ccc2OC)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
C5AR1 P21730 14/20 0.40
MAPT P10636 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 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
SCHEMBL1327779 0.96 L3MBTL1 (0.46) KDM4EL3MBTL1C5AR1MAPTTP53
SCHEMBL1330290 0.91 C5AR1 (0.42) KDM4EL3MBTL1C5AR1FFAR1TP53
SCHEMBL1328614 0.90 MRGPRX4 (0.40) KDM4EL3MBTL1C5AR1MAPTFFAR1
SCHEMBL1328381 0.90 FFAR4 (0.41) KDM4EL3MBTL1C5AR1MAPTFFAR1
SCHEMBL1327872 0.90 C5AR1 (0.39) C5AR1MAPTFFAR1FFAR4SMN1; SMN2
SCHEMBL1328955 0.88 C5AR1 (0.37) KDM4EL3MBTL1C5AR1MAPTFFAR1
SCHEMBL1327830 0.88 MAPT (0.39) KDM4EC5AR1MAPTTP53SMN1; SMN2
SCHEMBL1328184 0.88 C5AR1 (0.43) KDM4EC5AR1
SCHEMBL1329312 0.87 C5AR1 (0.40) C5AR1FFAR1FFAR4
SCHEMBL1329138 0.87 C5AR1 (0.39) 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 KDM4E 2088/4885L3MBTL1 3202/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KDM4E 2088/4885L3MBTL1 3202/4885C5AR1 2/4885

“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.