SCHEMBL19399104

SCHEMBL19399104

CC(=O)N(C)CC[C@H](O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
UTS2R Q9UKP6 7/20 0.39
CHRNA7 P36544 1/20 0.38
STAT3 P40763 1/20 0.38
ACHE P22303 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
SCHEMBL19399116 1.00 ALOX5 (0.41) ALOX5UTS2RCHRNA7STAT3ACHE
SCHEMBL19399105 0.85 AOC3 (0.51) UTS2R
SCHEMBL19399119 0.85 CYP1A2 (0.43) ALOX5UTS2R
SCHEMBL19399095 0.84 AOC3 (0.49)
SCHEMBL4942475 0.84 AOC3 (0.49)
SCHEMBL19399111 0.82 ALDH1A1 (0.35) UTS2R
SCHEMBL19407138 0.82 AOC3 (0.54) ALOX5UTS2R
SCHEMBL5463519 0.82 UTS2R (0.46) UTS2RCHRNA7
SCHEMBL19407176 0.81 UTS2R (0.44) UTS2R
SCHEMBL19399109 0.81 TAAR1 (0.44)

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-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL SHANGHAI JIAOTONG UNIVERSITY (CN) 2017-09-28 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-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL AADAT, BCKDK, ADH5 ALOX5 3235/4885UTS2R 3990/4885CHRNA7 901/4885

“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.