SCHEMBL980540

SCHEMBL980540

CCOc1ccc(-c2cccc(NC(=O)c3cc4cccc(OC)c4oc3=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
TP53 P04637 2/20 0.59
CASP3 P42574 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
HSD17B10 Q99714 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 4/20 0.55
AHR P35869 1/20 0.55
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL12010943 0.90 MAPT (0.71) MAPTTP53ALDH1A1GLAHSD17B10
SCHEMBL982010 0.89 ALDH1A1 (0.54) MAPTTP53CASP3ALDH1A1GLA
SCHEMBL980600 0.89 ALDH1A1 (0.58) MAPTTP53CASP3ALDH1A1GLA
SCHEMBL982818 0.88 CASP3 (0.62) MAPTTP53CASP3ALDH1A1GLA
SCHEMBL981815 0.88 CASP3 (0.62) MAPTTP53CASP3ALDH1A1HSD17B10
SCHEMBL980492 0.85 CASP3 (0.65) MAPTTP53CASP3ALDH1A1HSD17B10
SCHEMBL982902 0.83 CASP3 (0.61) MAPTTP53CASP3ALDH1A1GLA
SCHEMBL981013 0.83 CASP3 (0.61) MAPTTP53CASP3ALDH1A1HSD17B10
SCHEMBL978574 0.83 ALDH1A1 (0.58) MAPTTP53CASP3ALDH1A1GLA
SCHEMBL983054 0.83 CASP3 (0.63) MAPTTP53CASP3ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAPT 3013/4885TP53 39/4885CASP3 2/4885

“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.