SCHEMBL981176

SCHEMBL981176

COc1ccc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
MAOB P27338 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAOA P21397 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
AKR1C3 P42330 7/20 0.47
AR P10275 2/20 0.47
CBR1 P16152 2/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
F12 P00748 1/20 0.45

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
SCHEMBL981013 0.92 CASP3 (0.61) CASP3MAOBRAB9ANPC1MEN1
SCHEMBL978668 0.89 CASP3 (0.53) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL979386 0.87 AKR1C3 (0.51) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL978881 0.85 MAOB (0.48) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL982902 0.84 CASP3 (0.61) CASP3MAOBRAB9ANPC1MEN1
SCHEMBL982779 0.83 MAOB (0.61) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL981334 0.83 MAOB (0.53) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL980408 0.82 KMT2A (0.52) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL978163 0.81 MAOB (0.52) CASP3MAOBRAB9ANPC1MAOA
SCHEMBL980247 0.81 CASP3 (0.49) CASP3MAOBRAB9ANPC1MAOA

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 2/4885MAOB 3235/4885RAB9A 3095/4885

“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.