SCHEMBL625329

SCHEMBL625329

CC(O)N(c1ccc(N)cc1)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 7/20 0.48
CYP3A4 P08684 6/20 0.48
MAPK1 P28482 4/20 0.48
ALOX15 P16050 3/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
PSMD14 O00487 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.36

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
SCHEMBL21831591 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPK1ALOX15
Sulfuric Acid SCHEMBL999405 0.90 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4MAPK1ALOX15
SCHEMBL924268 0.80 TDP1 (0.52) ALDH1A1TDP1CYP3A4MAPK1ALOX15
SCHEMBL4201252 0.79 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1ALOX15
SCHEMBL80210 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMAPTCYP2C19
SCHEMBL3675301 0.78 ESR1 (0.44) ALDH1A1TDP1CYP3A4ALOX15RECQL
SCHEMBL6655727 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4MAPK1ALOX15
SCHEMBL9690365 0.76
Ammonia Solution, Strong SCHEMBL3137153 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTCYP2C19
Bicarbonate SCHEMBL6665758 0.76 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4MAPK1ALOX15

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 393 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3111915-B1 CATALYSED DYE SYSTEMS UNIV LEEDS INNOVATIONS LTD (GB) 2017-10-04 EP claimed
EP-3111915-A1 CATALYSED DYE SYSTEMS UNIVERSITY OF LEEDS (GB) 2017-01-04 EP claimed
EP-2448545-B1 CATALYSED DYE SYSTEMS UNIV LEEDS (GB) 2016-09-07 EP claimed
US-8608810-B2 Hair colorant compositions comprising 3-amino-2,6-dimethylphenol and 1,4-phenylenediamine-type developers, methods, and kits comprising the compositions THE PROCTER & GAMBLE COMPANY (US) 2013-12-17 US claimed
US-20130255004-A1 Hair colorant compositions comprising 3-amino-2,6-dimethylphenol and 1,4-phenylenediamine-type developers, methods, and kits comprising the compositions THE PROCTER & GAMBLE COMPANY (US) 2013-10-03 US claimed
US-8535391-B2 Catalysed dye systems UNIVERSITY OF LEEDS (GB) 2013-09-17 US claimed
US-20120110751-A1 Catalysed Dye Systems UNIVERSITY OF LEEDS (GB) 2012-05-10 US claimed
EP-2448545-A2 CATALYSED DYE SYSTEMS The University Of Leeds (GB) 2012-05-09 EP claimed
WO-2011000892-A2 CATALYSED DYE SYSTEMS UNIVERSITY OF LEEDS (GB) 2011-01-06 WO claimed
US-7066968-B2 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-06-27 US claimed
US-6579326-B2 For dyeing hair L'OREAL S.A. (FR) 2003-06-17 US claimed
US-20030074748-A1 Method and composition for the gradual permanent coloring of hair UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-24 US claimed
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 US claimed
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS L'OREAL S.A. (FR) 2003-02-13 US claimed
US-6379399-B1 HAIR DYES WITH OXIDATION COLOR DYES WITH 2-AMINO-8-HYDROXY QUINOLINE AND HYDROGEN PEROXIDE, APPLYING, RINSING, SHAMPOO AND DRYING WITH COUPLERS BRISTOL-MYERS SQUIBB COMPANY 2002-04-30 US claimed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 US claimed
WO-2001060327-A1 OXIDATIVE HAIR DYEING SYSTEM AND PROCESS FOR PROVIDING MORE EQUALIZED COLORATION ON NEW AND OLD GROWTH HAIR CLAIROL INCORPORATED (US) 2001-08-23 WO claimed
US-6093219-A Composition for the oxidation dyeing of keratin fibers, comprising at least two oxidation bases and an indole coupler, and dyeing process L'OREAL (FR) 2000-07-25 US claimed
EP-0728463-B1 Composition for oxidation dyeing of keratinous fibers comprising at least two oxidation bases and an indole coupleur and process for dyeing OREAL (FR) 1999-07-21 EP claimed
EP-0728463-A1 Composition for oxidation dyeing of keratinous fibers comprising at least two oxidation bases and an indole coupleur and process for dyeing L'OREAL (FR) 1996-08-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120110751-A1 Catalysed Dye Systems FH, TYR, POLR1C ALDH1A1 292/4885TDP1 1899/4885CYP3A4 174/4885
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process KRT18, INMT, KMO ALDH1A1 2691/4885TDP1 2965/4885CYP3A4 1696/4885
US-20130255004-A1 Hair colorant compositions comprising 3-amino-2,6-dimethylphenol and 1,4-phenylenediamine-type developers, methods, and kits comprising the compositions DDC, DDT, QDPR ALDH1A1 301/4885TDP1 944/4885CYP3A4 1442/4885
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS KRT18, INMT, KMO ALDH1A1 2493/4885TDP1 3046/4885CYP3A4 1685/4885

“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.