SCHEMBL29330577

SCHEMBL29330577

COC(=O)CN(C)[C@H](C)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
SLC2A1 P11166 1/20 0.44
AOC3 Q16853 1/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
UTS2R Q9UKP6 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29330579 0.86 ALOX5 (0.50) ALOX5ALDH1A1KMT2AMEN1OPRM1
SCHEMBL29330561 0.78 ALOX5 (0.44) ALOX5ALDH1A1KMT2AMEN1SLC2A1
SCHEMBL29330576 0.76 MAPT (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL13720973 0.76 ALOX5 (0.41) ALOX5ALDH1A1KMT2ARAB9AMEN1
SCHEMBL16291506 0.75 SLC2A1 (0.53) ALOX5ALDH1A1KMT2ARAB9AMEN1
SCHEMBL29330568 0.75 SLC2A1 (0.46) ALOX5ALDH1A1SLC2A1AOC3SMN1; SMN2
SCHEMBL17754960 0.75 RAB9A (0.51) ALDH1A1KMT2ARAB9AMEN1AOC3
SCHEMBL16656812 0.74 ALOX5 (0.51) ALOX5ALDH1A1KMT2ARAB9AMEN1
SCHEMBL15037436 0.74 ALDH1A1 (0.51) ALOX5ALDH1A1KMT2ARAB9AMEN1
SCHEMBL16656762 0.74 ALOX5 (0.51) ALOX5ALDH1A1KMT2ARAB9AMEN1

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-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 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-12043602-B2 Fendiline derivatives CYP11B2, CYP3A7, CYP4F2 ALOX5 648/4885ALDH1A1 292/4885KMT2A 3225/4885

“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.