SCHEMBL2139780

SCHEMBL2139780

CCc1cccc(CC)c1-c1cc(OC)c(Cc2cc(O)ccc2C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.41
MRGPRX4 Q96LA9 3/20 0.38
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NEK2 P51955 1/20 0.35
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 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
SCHEMBL1327612 0.79 C5AR1 (0.47) C5AR1
SCHEMBL1328844 0.79 C5AR1 (0.40) C5AR1KDM4EALDH1A1
SCHEMBL1328870 0.78 C5AR1 (0.39) C5AR1KDM4EALDH1A1HSD17B10
SCHEMBL1327486 0.73 C5AR1 (0.44) C5AR1
SCHEMBL1327732 0.69 C5AR1 (0.39) C5AR1
SCHEMBL1329433 0.69 C5AR1 (0.40) C5AR1KDM4EALDH1A1HSD17B10
SCHEMBL1329242 0.69 C5AR1 (0.40) C5AR1KDM4EALDH1A1HSD17B10
SCHEMBL1327759 0.66 C5AR1 (0.47) C5AR1MRGPRX4
SCHEMBL1328686 0.66 C5AR1 (0.47) C5AR1
SCHEMBL1328123 0.65 MRGPRX4 (0.39) C5AR1MRGPRX4KDM4EALDH1A1

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MRGPRX4 30/4885TTR 2246/4885

“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.