SCHEMBL803617

SCHEMBL803617

O=C(NCCc1c[nH]c2ccc(O)cc12)c1cc(O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.82
PTGS2 P35354 4/20 0.82
TRPV1 Q8NER1 2/20 0.82
SPR P35270 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
IDO1 P14902 1/20 0.69
HPGD P15428 1/20 0.69
BLM P54132 1/20 0.69
NOTUM Q6P988 1/20 0.69
SIRT1 Q96EB6 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TYR P14679 1/20 0.61
LMNA P02545 1/20 0.60

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
SCHEMBL15145371 0.92 PTGS1 (0.74) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL15145394 0.91 PTGS1 (0.82) PTGS1PTGS2TRPV1CYP1A2BLM
SCHEMBL15145349 0.90 PTGS1 (1.00) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL803841 0.90 PTGS1 (0.84) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL803117 0.87 PTGS1 (0.85) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL10071699 0.85 PTGS1 (0.68) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL15145409 0.85 PTGS1 (0.71) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL15145393 0.85 PTGS1 (0.74) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL28407538 0.84 PTGS1 (0.81) PTGS1PTGS2TRPV1SPRKDM4E
SCHEMBL15145405 0.84 PTGS1 (0.81) PTGS1PTGS2TRPV1SPRKDM4E

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 6 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
EP-2412701-B1 NOVEL AMIDE DERIVATIVE AND SKIN WHITENING AGENT AJINOMOTO KK (JP) 2015-08-12 EP 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
EP-2412701-A1 NOVEL AMIDE DERIVATIVE AND SKIN WHITENING AGENT Ajinomoto Co., Inc. (JP) 2012-02-01 EP 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 PTGS1 1229/4885PTGS2 2178/4885TRPV1 458/4885
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR PTGS1 1240/4885PTGS2 2191/4885TRPV1 1051/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR PTGS1 1240/4885PTGS2 2191/4885TRPV1 1051/4885

“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.