SCHEMBL982779

SCHEMBL982779

COc1ccc2cc(-c3cccc(NC(=O)c4cc5cccc(O)c5oc4=O)c3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA1 P30542 1/20 0.61
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 3/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.51
MAOA P21397 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49

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
SCHEMBL981815 0.91 CASP3 (0.62) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL980673 0.87 RAB9A (0.56) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL978558 0.87 MAOB (0.56) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL978791 0.86 RAB9A (0.55) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL981334 0.85 MAOB (0.53) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL977891 0.85 AKR1C3 (0.54) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL981176 0.83 CASP3 (0.51) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL978668 0.83 CASP3 (0.53) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL980684 0.80 MAOB (0.49) MAOBADORA3RAB9ANPC1MAPT
SCHEMBL980243 0.80 CASP3 (0.61) MAOBADORA3ADORA1RAB9ANPC1

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 3235/4885ADORA3 2755/4885ADORA1 4102/4885

“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.