SCHEMBL5425869

SCHEMBL5425869

CC(C)(C)OC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CYP17A1 P05093 4/20 0.45
RXFP1 Q9HBX9 1/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PSMB8 P28062 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK14 Q16539 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
NR1I3 Q14994 2/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL6746176 0.93 CA12 (0.49) CA12CA1CA9CYP17A1RXFP1
SCHEMBL24690021 0.88 CA12 (0.46) CA12CA1CA9CYP17A1RXFP1
SCHEMBL29956441 0.87 HPGD (0.46) CA12CA1CA9CYP17A1RXFP1
SCHEMBL3292146 0.87 HPGD (0.46) CA12CA1CA9CYP17A1RXFP1
SCHEMBL5419583 0.86 CA12 (0.43) CA12CA1CA9CYP17A1RXFP1
SCHEMBL5419579 0.86 CA12 (0.43) CA12CA1CA9CYP17A1RXFP1
SCHEMBL17903007 0.85 CA12 (0.55) CA12CA1CA9CYP17A1MAP4K4
SCHEMBL31192035 0.85 CA12 (0.49) CA12CA1CA9CYP17A1MAP4K4
SCHEMBL2981356 0.85 CA12 (0.49) CA12CA1CA9CYP17A1MAP4K4
SCHEMBL29954656 0.85 KCNQ4 (0.46) CA12CA1CA9CYP17A1RXFP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101090882-A P-diaminobenzene derivatives and dyes containing these compounds PROCTER & GAMBLE (US) 2007-12-19 CN disclosed
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 US disclosed
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
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 disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US disclosed
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 disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 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 (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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 CA12 1530/4885CA1 1545/4885CA9 1583/4885
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds KRT18, DSP, DSG1 CA12 1005/4885CA1 1885/4885CA9 1848/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC CA12 1314/4885CA1 1357/4885CA9 1442/4885
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 CA12 3368/4885CA1 2853/4885CA9 2883/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO CA12 855/4885CA1 627/4885CA9 1647/4885

“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.