Sugi Predict

Sugi Predict / Compounds / SCHEMBL10071695

SCHEMBL10071695

SCHEMBL10071695

Cc1cc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ BCHE P06276 1/20 0.68
▸ ACHE P22303 1/20 0.68
▸ PTGS2 P35354 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MAOB P27338 1/20 0.62
▸ SIRT2 Q8IXJ6 4/20 0.61
▸ HDAC1 Q13547 3/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57

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
SCHEMBL28015276 0.90 PTGS2 (0.80) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL4427822 0.90 PTGS2 (0.80) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL471949 0.90 PTGS2 (0.83) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL471948 0.90 PTGS2 (0.83) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL31634290 0.87 ACHE (0.88) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL4434094 0.87 ACHE (0.88) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL10070987 0.87 ACHE (0.88) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL798226 0.86 MAOB (0.79) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL798186 0.86 MAOB (0.79) MEN1KMT2ABCHEACHEPTGS2
SCHEMBL30753637 0.86 MAOB (0.79) MEN1KMT2ABCHEACHEPTGS2

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 5 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-20150031740-A1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2015-01-29 — — 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 (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-20150031740-A1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN H1-0, C1R, H1-3 MEN1 3291/4885KMT2A 3404/4885BCHE 1199/4885
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MEN1 4229/4885KMT2A 644/4885BCHE 965/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MEN1 4229/4885KMT2A 644/4885BCHE 965/4885

“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.