SCHEMBL979979

SCHEMBL979979

COc1cncc(-c2cccc(NC(=O)c3cc4cccc(OC)c4oc3=O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
RAB9A P51151 4/20 0.57
MAPT P10636 4/20 0.57
TP53 P04637 2/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAOB P27338 1/20 0.55
RXFP1 Q9HBX9 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 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
SCHEMBL981334 0.92 MAOB (0.53) CASP3RAB9AMAPTTP53NPC1
SCHEMBL980399 0.90 CASP3 (0.64) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL980118 0.89 CASP3 (0.63) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL980492 0.87 CASP3 (0.65) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL981815 0.86 CASP3 (0.62) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL983054 0.85 CASP3 (0.63) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL980155 0.84 CASP3 (0.65) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL981013 0.83 CASP3 (0.61) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL982902 0.83 CASP3 (0.61) CASP3RAB9AMAPTTP53HSD17B10
SCHEMBL980096 0.83 CASP3 (0.61) CASP3RAB9AMAPTTP53HSD17B10

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 CASP3 2/4885RAB9A 3095/4885MAPT 3013/4885

“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.