SCHEMBL976067

SCHEMBL976067

NC(=O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.63
ALOX5AP P20292 19/20 0.61
ALOX5 P09917 1/20 0.46

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
SCHEMBL12920614 1.00 PARP10 (0.63) PARP10ALOX5APALOX5
SCHEMBL12920608 0.91 ALOX5AP (0.65) PARP10ALOX5APALOX5
SCHEMBL974478 0.91 ALOX5AP (0.65) PARP10ALOX5APALOX5
SCHEMBL979458 0.90 ALOX5AP (0.61) PARP10ALOX5AP
SCHEMBL12920673 0.90 ALOX5AP (0.61) PARP10ALOX5AP
SCHEMBL976729 0.89 ALOX5AP (0.59) ALOX5AP
SCHEMBL12920585 0.89 ALOX5AP (0.59) ALOX5AP
SCHEMBL975677 0.89 ALOX5AP (0.59) PARP10ALOX5APALOX5
SCHEMBL12920632 0.89 ALOX5AP (0.59) PARP10ALOX5APALOX5
SCHEMBL12920598 0.89 ALOX5AP (0.59) ALOX5AP

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 PARP10 567/4885ALOX5AP 47/4885ALOX5 11/4885

“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.