SCHEMBL6097203

SCHEMBL6097203

CCOCOc1ccc(NC(=O)OC(C)(C)C)cc1C=CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
GAA P10253 2/20 0.41
FDPS P14324 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BACE1 P56817 1/20 0.37
PPARG P37231 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 4/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL6097933 0.91 GAA (0.39) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL6571505 0.91 GAA (0.39) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL6096016 0.86 CA12 (0.41) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL6096438 0.79 MAPT (0.44) ALDH1A1GAAPPARGACSS2CA12
SCHEMBL6139345 0.79 HDAC3 (0.43) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL5889010 0.77 ALDH1A1 (0.44) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL12596999 0.76 CA12 (0.47) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL23513537 0.76 CA12 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL30013586 0.76 CA12 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6287850 0.72 AAK1 (0.43) ALDH1A1GAAPPARGCA12CA1

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-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK ALDH1A1 36/4885GAA 3318/4885FDPS 2310/4885

“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.