SCHEMBL23457125

SCHEMBL23457125

CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)C1Nc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 6/20 0.73
IDO1 P14902 11/20 0.45
DHODH Q02127 1/20 0.40
S100A4 P26447 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
SCHEMBL20811355 0.90 NQO1 (0.76) NQO1IDO1
SCHEMBL20811039 0.90 NQO1 (0.76) NQO1IDO1
SCHEMBL18791172 0.84 NQO1 (1.00) NQO1IDO1S100A4
SCHEMBL18791168 0.78 NQO1 (1.00) NQO1IDO1
SCHEMBL20811501 0.78 NQO1 (0.59) NQO1IDO1
SCHEMBL23406759 0.78 NQO1 (0.59) NQO1IDO1
SCHEMBL18791098 0.77 NQO1 (0.67) NQO1IDO1
SCHEMBL18791169 0.77 NQO1 (1.00) NQO1IDO1S100A4
SCHEMBL103949 0.72 IDO1 (0.53) NQO1IDO1
SCHEMBL20811248 0.71 IDO1 (0.59) NQO1IDO1

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-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS Instituto de Medicina Molecular João Lobo Antunes (PT) 2021-06-03 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-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS ALOX5, ALOX15, ALOX15B NQO1 85/4885IDO1 342/4885DHODH 80/4885

“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.