SCHEMBL10071696

SCHEMBL10071696

O=C(/C=C/c1cc(O)cc(O)c1)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.85
PTGS2 P35354 2/20 0.78
SPR P35270 4/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
IDO1 P14902 1/20 0.63
HPGD P15428 1/20 0.63
BLM P54132 1/20 0.63
NOTUM Q6P988 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HDAC3 O15379 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PTGS1 P23219 1/20 0.56
TRPV1 Q8NER1 1/20 0.56

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-P-Coumaroyl Serotonin SCHEMBL29594565 0.92 MAOB (1.00) MAOBPTGS2SPRKDM4EALDH1A1
N-P-Coumaroyl Serotonin SCHEMBL471922 0.92 MAOB (1.00) MAOBPTGS2SPRKDM4EALDH1A1
N-P-Coumaroyl Serotonin SCHEMBL471921 0.92 MAOB (1.00) MAOBPTGS2SPRKDM4EALDH1A1
SCHEMBL10070991 0.91 PTGS2 (0.82) MAOBPTGS2SPRKDM4EALDH1A1
N-Cinnamoyl Serotonin SCHEMBL31276875 0.90 MAOB (0.87) MAOBPTGS2SPRKDM4EALDH1A1
N-Cinnamoyl Serotonin SCHEMBL471939 0.90 MAOB (0.87) MAOBPTGS2SPRKDM4EALDH1A1
N-Cinnamoyl Serotonin SCHEMBL471940 0.90 MAOB (0.87) MAOBPTGS2SPRKDM4EALDH1A1
N-Cinnamoyl Serotonin SCHEMBL29593853 0.90 MAOB (0.87) MAOBPTGS2SPRKDM4EALDH1A1
N-Sinapoyl Serotonin SCHEMBL803240 0.89 MAOB (0.74) MAOBPTGS2SPRKDM4EALDH1A1
N-Caffeoylserotonin SCHEMBL30039282 0.88 PTGS2 (1.00) MAOBPTGS2SPRKDM4EALDH1A1

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-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 (2 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-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MAOB 416/4885PTGS2 2191/4885SPR 3569/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MAOB 416/4885PTGS2 2191/4885SPR 3569/4885

“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.