SCHEMBL977891

SCHEMBL977891

O=C(Nc1cccc(-c2ccc(Oc3ccccc3)cc2)c1)c1cc2cccc(O)c2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.54
MAOB P27338 8/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAOA P21397 4/20 0.50
F12 P00748 2/20 0.49
PNLIP P16233 1/20 0.48
CASP3 P42574 1/20 0.48
CBR1 P16152 2/20 0.47
AR P10275 1/20 0.47
GALK1 P51570 1/20 0.47
CASP6 P55212 1/20 0.47
MCL1 Q07820 1/20 0.47
PLEC Q15149 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL982818 0.88 CASP3 (0.62) MAOBNPC1RAB9ACASP3
SCHEMBL979435 0.86 CASP3 (0.49) MAOBNPC1RAB9AMAOAF12
SCHEMBL982779 0.85 MAOB (0.61) MAOBNPC1RAB9AMAOACASP3
SCHEMBL980671 0.83 MAPK1 (0.55) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL982797 0.81 AKR1C3 (0.59) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL979386 0.80 AKR1C3 (0.51) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL978163 0.80 MAOB (0.52) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL980649 0.80 AKR1C3 (0.49) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL980848 0.80 CASP3 (0.50) AKR1C3MAOBNPC1RAB9AMAOA
SCHEMBL979968 0.80 GAPDH (0.53) AKR1C3MAOBNPC1RAB9AMAOA

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 AKR1C3 3154/4885MAOB 3235/4885NPC1 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.