SCHEMBL7039463

SCHEMBL7039463

Nc1ccc(N2CCC2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GFER P55789 4/20 0.37

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
SCHEMBL4890984 0.89 FFAR1 (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL78460 0.89 FFAR1 (0.43) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL78175 0.88 ALDH1A1 (0.42) GBA1MAPTALDH1A1KDM4EGAA
SCHEMBL7452343 0.78 GFER (0.33) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL188824 0.78 GFER (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL15651450 0.78 MTOR (0.41) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL13735239 0.78 MTOR (0.41) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL189033 0.78 GFER (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL22471285 0.78 GFER (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL7100773 0.77 GBA1 (0.52) GBA1MAPTALDH1A1KDM4EGAA

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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group KRT18, CDC73, AOC1 GBA1 4322/4885MAPT 1146/4885ALDH1A1 632/4885

“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.