SCHEMBL803753

SCHEMBL803753

CCOc1cc(/C=C/C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.76
MAOB P27338 1/20 0.72
ACHE P22303 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
BCHE P06276 1/20 0.61
SPR P35270 3/20 0.56
HDAC3 O15379 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
BLM P54132 1/20 0.54
NOTUM Q6P988 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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-Feruloyl Serotonin SCHEMBL30037765 0.91 PTGS2 (0.79) PTGS2MAOBACHEMEN1KMT2A
N-Feruloyl Serotonin SCHEMBL12063415 0.91 PTGS2 (0.79) PTGS2MAOBACHEMEN1KMT2A
N-Feruloyl Serotonin SCHEMBL1809357 0.91 PTGS2 (0.79) PTGS2MAOBACHEMEN1KMT2A
N-Caffeoylserotonin SCHEMBL4294054 0.86 PTGS2 (1.00) PTGS2MAOBACHEMEN1KMT2A
N-Caffeoylserotonin SCHEMBL803616 0.86 PTGS2 (1.00) PTGS2MAOBACHEMEN1KMT2A
N-Caffeoylserotonin SCHEMBL30039282 0.86 PTGS2 (1.00) PTGS2MAOBACHEMEN1KMT2A
SCHEMBL471948 0.86 PTGS2 (0.83) PTGS2MAOBACHEMEN1KMT2A
SCHEMBL471949 0.86 PTGS2 (0.83) PTGS2MAOBACHEMEN1KMT2A
N-Isoferuloyl Serotonin SCHEMBL803830 0.85 PTGS2 (0.79) PTGS2MAOBACHEMEN1KMT2A
N-P-Coumaroyl Serotonin SCHEMBL471921 0.84 MAOB (1.00) PTGS2MAOBMEN1KMT2ASPR

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
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-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 (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 PTGS2 2191/4885MAOB 416/4885ACHE 291/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR PTGS2 2191/4885MAOB 416/4885ACHE 291/4885

“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.