SCHEMBL10071693

SCHEMBL10071693

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.81
SPR P35270 4/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
MAPT P10636 1/20 0.70
IDO1 P14902 1/20 0.70
HPGD P15428 1/20 0.70
BLM P54132 1/20 0.70
NOTUM Q6P988 1/20 0.70
TRPV1 Q8NER1 4/20 0.69
PTGS1 P23219 4/20 0.69
PTGS2 P35354 2/20 0.69
ACHE P22303 1/20 0.64
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 2/20 0.61

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
SCHEMBL794173 0.90 TYR (0.70) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL31277254 0.89 ACHE (0.75) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL5342883 0.89 ACHE (0.75) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL20182262 0.86 TRPV1 (0.73) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL10071699 0.86 PTGS1 (0.68) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL25217961 0.86 TRPV1 (0.67) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL15145409 0.86 PTGS1 (0.71) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL1960963 0.84 SPR (0.78) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL803841 0.84 PTGS1 (0.84) TYRSPRKDM4EALDH1A1NPSR1
SCHEMBL803617 0.84 PTGS1 (0.82) TYRSPRKDM4EALDH1A1NPSR1

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 TYR 378/4885SPR 1218/4885KDM4E 1153/4885
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR TYR 3/4885SPR 3569/4885KDM4E 1343/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR TYR 3/4885SPR 3569/4885KDM4E 1343/4885

“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.