SCHEMBL1329504

SCHEMBL1329504

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc3ccc(OC)cc3c2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 12/20 0.41
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 3/20 0.36
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL1327238 0.93 C5AR1 (0.40) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1327671 0.91 C5AR1 (0.46) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1329407 0.87 C5AR1 (0.38) C5AR1RAB9AKDM4EMEN1TP53
SCHEMBL4824163 0.87 AKR1C3 (0.43) C5AR1AKR1C3ALDH1A1HPGD
SCHEMBL1327786 0.86 C5AR1 (0.41) C5AR1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1327672 0.85 C5AR1 (0.39) C5AR1NPSR1KDM4EALDH1A1LMNA
SCHEMBL1328066 0.85 C5AR1 (0.42) C5AR1KDM4EALDH1A1LMNAHPGD
SCHEMBL1330106 0.85 C5AR1 (0.42) C5AR1NPSR1LMNAHPGDTSHR
SCHEMBL1329519 0.85 C5AR1 (0.38) C5AR1KDM4EALDH1A1LMNAHPGD
SCHEMBL1329454 0.85 FFAR1 (0.38) C5AR1HPGDTSHR

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 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 (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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 C5AR1 2/4885NPSR1 169/4885AKR1C3 215/4885

“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.