SCHEMBL16807343

SCHEMBL16807343

Nc1cc(CO)cc(N2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
USP2 O75604 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHKA P35790 2/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL978877 0.84 PIK3CA (0.46) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL21817818 0.74 ALDH1A1 (0.54) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL1172624 0.72 ACHE (0.48) ALDH1A1MAPTKDM4ETHRBTP53
SCHEMBL205947 0.72 ACHE (0.48) ALDH1A1MAPTKDM4ETHRBTP53
SCHEMBL3960459 0.72 AGXT (0.62) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL24269907 0.71 ALDH1A1 (0.45) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL2980568 0.71 ALDH1A1 (0.45) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL12325554 0.71 ALDH1A1 (0.50) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL6268645 0.70 PRMT6 (0.63) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL17820032 0.70 CHRNB2 (0.45) CHKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
WO-2015086676-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2015-06-18 WO 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-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT KRT18, VIM, SORD ALDH1A1 1145/4885MEN1 2491/4885MAPT 29/4885

“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.