SCHEMBL6852117

SCHEMBL6852117

CC(O)c1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
CYP17A1 P05093 2/20 0.41
NR1I3 Q14994 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PSMB8 P28062 1/20 0.40
NAMPT P43490 1/20 0.40
MAP4K4 O95819 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL6853361 0.87 CA12 (0.44) CA12CA1CA9RXFP1CYP17A1
SCHEMBL10192915 0.84 CA12 (0.44) CA12CA1CA9RXFP1CYP17A1
SCHEMBL1771858 0.81 IDO1 (0.47) RXFP1
SCHEMBL13055401 0.79 CA12 (0.49) CA12CA1CA9RXFP1CYP17A1
SCHEMBL4612314 0.78 CA12 (0.48) CA12CA1CA9RXFP1CYP17A1
SCHEMBL3783697 0.78 CA12 (0.48) CA12CA1CA9RXFP1CYP17A1
SCHEMBL27284495 0.77 CYP17A1 (0.49) CA12CA1CA9CYP17A1PSMB8
SCHEMBL27284560 0.77 CYP17A1 (0.49) CA12CA1CA9CYP17A1PSMB8
SCHEMBL3781384 0.77 CA12 (0.47) CA12CA1CA9RXFP1CYP17A1
SCHEMBL3295634 0.76 HPGD (0.43) CYP17A1

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-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-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 (2 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-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

“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.