SCHEMBL1328338

SCHEMBL1328338

CCOc1cccc(OCc2c(OC)cc(-c3c(CC)cccc3CC)nc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 13/20 0.41
CD274 Q9NZQ7 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PDCD1 Q15116 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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) C5AR1CD274
SCHEMBL1329109 0.90 C5AR1 (0.41) C5AR1CD274ALDH1A1KDM4EMEN1
SCHEMBL1327287 0.88 BRD4 (0.39) C5AR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1328747 0.88 C5AR1 (0.46) C5AR1CD274PDCD1
SCHEMBL1327672 0.88 C5AR1 (0.39) C5AR1ALDH1A1KDM4EGAAMEN1
SCHEMBL1329280 0.87 C5AR1 (0.46) C5AR1MAPTTSHR
SCHEMBL1328066 0.87 C5AR1 (0.42) C5AR1ALDH1A1KDM4EGAAMAPT
SCHEMBL1327289 0.87 C5AR1 (0.41) C5AR1CD274
SCHEMBL1329576 0.87 ABCB1 (0.41) C5AR1MAPTHTT
SCHEMBL1330475 0.86 C5AR1 (0.41) C5AR1CD274

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 2/4885CD274 1147/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885CD274 1147/4885ALDH1A1 1966/4885

“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.