SCHEMBL976628

SCHEMBL976628

Nc1nnc(-c2ccc([C@@]3(c4ccc(OCc5ncccc5F)cc4)C[C@@H]4CC[C@H]3C4)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.48
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL976627 1.00 ALOX5AP (0.48) ALOX5APKDM4EHSD17B10ALOX5NPC1
SCHEMBL977781 0.88 ALOX5AP (0.54) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL977780 0.88 ALOX5AP (0.54) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL974436 0.85 ALOX5AP (0.57) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL12920623 0.85 ALOX5AP (0.57) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL977272 0.83 ALOX5AP (0.53) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL977271 0.83 ALOX5AP (0.53) ALOX5APKDM4EHSD17B10ALOX5
SCHEMBL978521 0.81 ALOX5AP (0.48) ALOX5APKDM4EHSD17B10ALOX5NPC1
SCHEMBL978524 0.81 ALOX5AP (0.48) ALOX5APKDM4EHSD17B10ALOX5NPC1
SCHEMBL975772 0.77 ALOX5AP (0.45) ALOX5APKDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885KDM4E 3639/4885HSD17B10 508/4885

“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.