SCHEMBL980389

SCHEMBL980389

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
MAOB P27338 4/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 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
SCHEMBL979709 0.93 CASP3 (0.53) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL980096 0.92 CASP3 (0.61) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL978791 0.90 RAB9A (0.55) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL982817 0.90 CASP3 (0.61) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL980673 0.88 RAB9A (0.56) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL981428 0.88 ALDH1A1 (0.53) CASP3RAB9ANPC1MAOBMAPT
SCHEMBL980243 0.85 CASP3 (0.61) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL979688 0.82 AKR1C3 (0.52) CASP3RAB9ANPC1MAOBRXFP1
SCHEMBL982010 0.82 ALDH1A1 (0.54) CASP3RAB9ANPC1MAOBMEN1
SCHEMBL977971 0.82 ALDH1A1 (0.59) CASP3RAB9ANPC1MAOBMEN1

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 2/4885RAB9A 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.