SCHEMBL980043

SCHEMBL980043

COc1ccc(-c2ccc[c]c2C(N)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
GRM2 Q14416 1/20 0.40
SLC6A9 P48067 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
PARP1 P09874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CTSA P10619 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
GRK6 P43250 1/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL980742 0.91 ALDH1A1 (0.44) PTGS2ARALDH1A1MAPTHPGD
SCHEMBL3663919 0.86 MAPK1 (0.39) ALDH1A1MAPK1HSD17B10FFAR1
SCHEMBL981626 0.79 FGFR1 (0.49) GRM2MAPTPARP1CHEK2
SCHEMBL3091864 0.78 PARP1 (0.49) ALDH1A1MAPTHSD17B10PARP1CHEK2
SCHEMBL3088335 0.77 IKBKB (0.45) ALDH1A1MAPTHPGDHSD17B10PARP1
SCHEMBL3664103 0.77 HDAC4 (0.50) ALDH1A1MAPTHPGDPARP1
SCHEMBL3081965 0.77 MKNK1 (0.40) GRM2ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL11538213 0.75 CA12 (0.43) ALDH1A1MAPTL3MBTL1
SCHEMBL3657940 0.75 CYP3A4 (0.44) ALDH1A1MAPTHPGDMAPK1HSD17B10
SCHEMBL2636302 0.72 BCAT2 (0.53) ALDH1A1MAPTHPGDHSD17B10PARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO 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 PTGS2 2847/4885PTGS1 2203/4885GRM2 4507/4885

“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.