SCHEMBL1327730

SCHEMBL1327730

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2OC(C)C)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.42
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL1330290 0.95 C5AR1 (0.42) C5AR1NPSR1KDM4EALDH1A1HTT
SCHEMBL1327763 0.93 FFAR4 (0.41) C5AR1FFAR4NPSR1ALDH1A1TDP1
SCHEMBL1327856 0.91 C5AR1 (0.41) C5AR1NISCHFFAR4HTR1A
SCHEMBL1328120 0.91 C5AR1 (0.40) C5AR1KMT2AFFAR4KDM4E
SCHEMBL1329605 0.91 C5AR1 (0.40) C5AR1MEN1KMT2ANISCHFFAR4
SCHEMBL1330106 0.91 C5AR1 (0.42) C5AR1POLBFFAR4NPSR1LMNA
SCHEMBL1329091 0.90 C5AR1 (0.39) C5AR1MEN1POLBKMT2AFFAR4
SCHEMBL1327632 0.90 C5AR1 (0.39) C5AR1POLBNISCHFFAR4LMNA
SCHEMBL1328528 0.89 C5AR1 (0.38) C5AR1FFAR4
SCHEMBL1329513 0.89 C5AR1 (0.38) C5AR1FFAR4

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 2/4885MEN1 3563/4885POLB 4733/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MEN1 3563/4885POLB 4733/4885

“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.