SCHEMBL977998

SCHEMBL977998

Nc1nnc(-c2ccc([C@@]3(c4ccc(CCc5ccccn5)cc4)C[C@@H]4CC[C@H]3C4)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.45
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL12920686 1.00 ALOX5AP (0.45) ALOX5APNOTUMMAPTKMT2AHSD11B1
SCHEMBL12920623 0.86 ALOX5AP (0.57) ALOX5APKDM4EHSD17B10
SCHEMBL974436 0.86 ALOX5AP (0.57) ALOX5APKDM4EHSD17B10
SCHEMBL977780 0.80 ALOX5AP (0.54) ALOX5APKDM4EHSD17B10
SCHEMBL977781 0.80 ALOX5AP (0.54) ALOX5APKDM4EHSD17B10
SCHEMBL12948104 0.78 ALOX5AP (0.47) ALOX5APHSD11B1KDM4E
SCHEMBL975771 0.78 ALOX5AP (0.45) ALOX5APKDM4EHSD17B10
SCHEMBL975772 0.78 ALOX5AP (0.45) ALOX5APKDM4EHSD17B10
SCHEMBL976898 0.77 ALOX5AP (0.45) ALOX5APNOTUMKDM4EHSD17B10
SCHEMBL974481 0.77 ALOX5AP (0.45) ALOX5APNOTUMKDM4EHSD17B10

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 47/4885NOTUM 265/4885MAPT 4778/4885

“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.