SCHEMBL1327355

SCHEMBL1327355

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)ccc2C(N)=O)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 3/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
C5AR1 P21730 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PARP14 Q460N5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
PARP1 P09874 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SYK P43405 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
SCHEMBL4824976 0.93 AKR1C3 (0.41) AKR1C3C5AR1KMT2AIDO1TDO2
SCHEMBL1328853 0.90 AKR1C3 (0.42) AKR1C3C5AR1IDO1TDO2FFAR1
SCHEMBL1328812 0.89 AKR1C3 (0.45) AKR1C3C5AR1IDO1TDO2
SCHEMBL1327343 0.89 PARP10 (0.41) PARP10PARP15IRAK4MKNK1MKNK2
SCHEMBL1327952 0.87 KDM4E (0.41) C5AR1FFAR1FFAR4
SCHEMBL1327872 0.86 C5AR1 (0.39) AKR1C3C5AR1KMT2AFFAR1FFAR4
SCHEMBL1327245 0.86 SCN9A (0.39) AKR1C3C5AR1MEN1KMT2A
SCHEMBL1329312 0.86 C5AR1 (0.40) AKR1C3C5AR1FFAR1FFAR4
SCHEMBL4859019 0.85 IRAK4 (0.36) PARP10PARP15IRAK4MKNK1MKNK2
SCHEMBL1327830 0.85 MAPT (0.39) C5AR1MEN1KMT2A

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 AKR1C3 215/4885PARP10 644/4885PARP15 618/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 AKR1C3 215/4885PARP10 644/4885PARP15 618/4885

“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.