SCHEMBL456751

SCHEMBL456751

Cc1c(N)ccc(O)c1NCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 3/20 0.35
GLA P06280 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
TTR P02766 1/20 0.35
RAD52 P43351 1/20 0.35
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 5/20 0.33
ESR1 P03372 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
USP2 O75604 3/20 0.33
ESR2 Q92731 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL6848565 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL7177433 0.81 NAAA (0.42) ALDH1A1KDM4ELMNARAB9AHPGD
SCHEMBL27571552 0.71 KMT2A (0.41) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL27607175 0.70 ESR1 (0.36) ALDH1A1KDM4EGAAPOLBALOX15
SCHEMBL9826464 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL2574774 0.69 TSHR (0.46) ALDH1A1KDM4EGAAGLARAB9A
SCHEMBL31650514 0.69 TSHR (0.46) ALDH1A1KDM4EGAAGLARAB9A
SCHEMBL10687600 0.69 KDM4E (0.34) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL3164732 0.69 MAOB (0.39) ALDH1A1KDM4EPOLBHSD17B10MAPK1
SCHEMBL3666211 0.69 POLB (0.46) ALDH1A1KDM4EGAAPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
CN-100346768-C Oxidation hair dye agent comprising 3-aminophenol derivative and novel 3-aminophenol derivative P & G CLAIROL INC (US) 2007-11-07 CN claimed
US-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US claimed
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US claimed
US-7132000-B2 Agents for oxidatively dying keratin fibers WELLA AG (DE) 2006-11-07 US claimed
US-7128764-B2 M-aminophenol derivatives and coloring agents containing them WELLA AG (DE) 2006-10-31 US claimed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US claimed
US-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US claimed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US claimed
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 CN claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP claimed
US-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-01-29 US claimed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN claimed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US claimed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-08 US 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 (5 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-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds KRT18, DSP, COL1A1 ALDH1A1 34/4885KDM4E 1435/4885GAA 3269/4885
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 ALDH1A1 84/4885KDM4E 497/4885GAA 4834/4885
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 ALDH1A1 107/4885KDM4E 1607/4885GAA 3693/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO ALDH1A1 43/4885KDM4E 1123/4885GAA 4499/4885
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair KRT18, KMO, TYR ALDH1A1 157/4885KDM4E 152/4885GAA 4565/4885

“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.