SCHEMBL6138626

SCHEMBL6138626

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GPER1 Q99527 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ACSS2 Q9NR19 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAP4K4 O95819 1/20 0.40
CYP17A1 P05093 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PSMB8 P28062 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
SCHEMBL6138629 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6139345 0.88 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23497330 0.87 CA12 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3168219 0.86 GRM5 (0.44) KMT2AKDM4EAKR1C3AKR1C2MEN1
SCHEMBL3168231 0.86 GRM5 (0.44) KMT2AKDM4EAKR1C3AKR1C2MEN1
SCHEMBL5419579 0.84 CA12 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5419583 0.84 CA12 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5425869 0.83 CA12 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24690021 0.83 CA12 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8953420 0.82 CA1 (0.45) CA1GAARXFP1KMT2AMEN1

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
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 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
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 WO 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 (1 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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 HDAC3 2999/4885HDAC1 3779/4885HDAC2 3740/4885

“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.