SCHEMBL980168

SCHEMBL980168

O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cc2cccc(OC(F)(F)F)c2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
MAOB P27338 4/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
NPC1 O15118 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL978431 0.91 CASP3 (0.47) CASP3MAOBMAPTTP53RAB9A
SCHEMBL980625 0.89 CASP3 (0.57) CASP3MAOBMAPTTP53RAB9A
SCHEMBL981428 0.81 ALDH1A1 (0.53) CASP3MAOBMAPTTP53RAB9A
SCHEMBL979435 0.81 CASP3 (0.49) CASP3MAOBMAPTTP53RAB9A
SCHEMBL978791 0.80 RAB9A (0.55) CASP3MAOBMAPTTP53RAB9A
SCHEMBL982010 0.80 ALDH1A1 (0.54) CASP3MAOBMAPTTP53RAB9A
SCHEMBL979319 0.79 CASP3 (0.59) CASP3MAOBMAPTTP53RAB9A
SCHEMBL978098 0.78 ALDH1A1 (0.55) CASP3MAPTTP53RAB9AALDH1A1
SCHEMBL982817 0.77 CASP3 (0.61) CASP3MAOBMAPTTP53RAB9A
SCHEMBL977971 0.76 ALDH1A1 (0.59) CASP3MAOBMAPTTP53RAB9A

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 3235/4885MAPT 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.