SCHEMBL6096016

SCHEMBL6096016

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 2/20 0.39
MAPK14 Q16539 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
MAP4K4 O95819 1/20 0.39
MAPKAPK2 P49137 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
RORC P51449 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6571505 0.87 GAA (0.39) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL6097933 0.87 GAA (0.39) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL6097203 0.86 ALDH1A1 (0.41) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL6096438 0.83 MAPT (0.44) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL5889010 0.81 ALDH1A1 (0.44) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL19503196 0.79 CA12 (0.44) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL6287850 0.76 AAK1 (0.43) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL5425869 0.76 CA12 (0.49) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL2981356 0.76 CA12 (0.49) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL17903007 0.76 CA12 (0.55) CA12CA1CA9CYP17A1ALDH1A1

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 2 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
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

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 CA12 3917/4885CA1 2675/4885CA9 3006/4885

“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.