SCHEMBL981428

SCHEMBL981428

O=C(Nc1cccc(-c2ccccc2OC(F)(F)F)c1)c1cc2cccc(OC(F)(F)F)c2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
CASP3 P42574 1/20 0.53
MAOB P27338 7/20 0.51
KCNK3 O14649 4/20 0.48
KCNK9 Q9NPC2 4/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MAOA P21397 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 1/20 0.47
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
SCHEMBL982817 0.94 CASP3 (0.61) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL979688 0.94 AKR1C3 (0.52) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL979711 0.90 CASP3 (0.48) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL977971 0.90 ALDH1A1 (0.59) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL980389 0.88 CASP3 (0.53) CASP3MAOBKCNK3KCNK9TP53
SCHEMBL979435 0.86 CASP3 (0.49) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL979709 0.86 CASP3 (0.53) CASP3MAOBKCNK3KCNK9TP53
SCHEMBL980458 0.85 ALDH1A1 (0.55) ALDH1A1GLACASP3KCNK3KCNK9
SCHEMBL978431 0.83 CASP3 (0.47) ALDH1A1GLACASP3MAOBKCNK3
SCHEMBL978791 0.83 RAB9A (0.55) CASP3MAOBKCNK3KCNK9TP53

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 ALDH1A1 2806/4885GLA 467/4885CASP3 2/4885

“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.