SCHEMBL978558

SCHEMBL978558

COc1ccc(OC)c(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADORA1 P30542 1/20 0.56
CASP3 P42574 1/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOA P21397 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL980243 0.93 CASP3 (0.61) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL980673 0.93 RAB9A (0.56) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL979709 0.88 CASP3 (0.53) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL982779 0.87 MAOB (0.61) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL980096 0.86 CASP3 (0.61) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL981815 0.83 CASP3 (0.62) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL981334 0.81 MAOB (0.53) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL980389 0.81 CASP3 (0.53) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL982716 0.80 CASP3 (0.51) MAOBRAB9ANPC1ADORA3ADORA1
SCHEMBL980247 0.79 CASP3 (0.49) MAOBRAB9ANPC1ADORA3ADORA1

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 MAOB 3235/4885RAB9A 3095/4885NPC1 2565/4885

“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.