SCHEMBL978098

SCHEMBL978098

CCOc1ccc(-c2cccc(NC(=O)c3cc4cccc(OC(F)(F)F)c4oc3=O)c2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GLA P06280 1/20 0.55
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
CASP3 P42574 1/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CNR2 P34972 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
KCNK3 O14649 1/20 0.44

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
SCHEMBL982010 0.90 ALDH1A1 (0.54) ALDH1A1GLAPPARGNCOA2NCOA1
SCHEMBL980600 0.90 ALDH1A1 (0.58) ALDH1A1GLAPPARGNCOA2NCOA1
SCHEMBL980544 0.88 ALDH1A1 (0.55) ALDH1A1GLAPPARGNCOA2NCOA1
SCHEMBL980458 0.83 ALDH1A1 (0.55) ALDH1A1GLAPPARGNCOA2NCOA1
SCHEMBL978791 0.82 RAB9A (0.55) CASP3NPC1MEN1KMT2AMAPT
SCHEMBL981428 0.81 ALDH1A1 (0.53) ALDH1A1GLACASP3NPC1MAPT
SCHEMBL979435 0.81 CASP3 (0.49) ALDH1A1GLACASP3NPC1MEN1
SCHEMBL978431 0.80 CASP3 (0.47) ALDH1A1GLACASP3NPC1MAPT
SCHEMBL980540 0.79 MAPT (0.59) ALDH1A1GLAPPARGNCOA2NCOA1
SCHEMBL979709 0.79 CASP3 (0.53) CASP3NPC1MEN1KMT2AMAPT

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 467/4885PPARG 3734/4885

“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.