SCHEMBL802769

SCHEMBL802769

COc1cc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SPR P35270 3/20 0.60
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
IDO1 P14902 1/20 0.59
BLM P54132 1/20 0.59
NOTUM Q6P988 1/20 0.59
HSD17B2 P37059 1/20 0.58
ACHE P22303 2/20 0.56
APEX1 P27695 1/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55

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
N-Dihydroferuloyl Serotonin SCHEMBL10070990 0.91 TRPV1 (0.61) TRPV1SPRKDM4ECYP1A2CYP3A4
SCHEMBL17209331 0.87 KMT2A (0.70) TRPV1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10084321 0.82 SPR (0.63) TRPV1SPRKDM4ECYP1A2CYP3A4
SCHEMBL14520190 0.80 KMT2A (0.61) MEN1KMT2ASPRKDM4ECYP1A2
N-Feruloyl Serotonin SCHEMBL30037765 0.80 PTGS2 (0.79) MEN1KMT2AACHE
N-Feruloyl Serotonin SCHEMBL1809357 0.80 PTGS2 (0.79) MEN1KMT2AACHE
N-Feruloyl Serotonin SCHEMBL12063415 0.80 PTGS2 (0.79) MEN1KMT2AACHE
SCHEMBL1584079 0.80 SPR (0.79) TRPV1MEN1KMT2ASPRKDM4E
SCHEMBL14703885 0.79 CA1 (0.75) ALDH1A1MTNR1AMTNR1B
SCHEMBL7513866 0.79 KMT2A (0.88) TRPV1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9295624-B2 Amide derivative and whitening agent AJINOMOTO CO., INC. (JP) 2016-03-29 US disclosed
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC. (JP) 2014-09-11 US disclosed
US-20130196050-A1 SALTY TASTE ENHANCER AJINOMOTO CO., INC. (JP) 2013-08-01 US disclosed
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC (JP) 2012-03-22 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 (3 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-20130196050-A1 SALTY TASTE ENHANCER TAS2R10, TAS2R5, TAS1R1 TRPV1 458/4885MEN1 2795/4885KMT2A 1560/4885
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR TRPV1 1051/4885MEN1 4229/4885KMT2A 644/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR TRPV1 1051/4885MEN1 4229/4885KMT2A 644/4885

“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.