SCHEMBL981636

SCHEMBL981636

CCOc1cccc2cc(C(=O)O)c(=O)oc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.73
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
CA9 Q16790 2/20 0.73
CA3 P07451 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA5A P35218 1/20 0.73
CA7 P43166 1/20 0.73
CA14 Q9ULX7 1/20 0.73
CA5B Q9Y2D0 1/20 0.73
ADORA3 P0DMS8 3/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
ALDH1A1 P00352 2/20 0.64
GLA P06280 1/20 0.64
PPARG P37231 1/20 0.62
NCOA2 Q15596 1/20 0.62
NCOA1 Q15788 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL1368826 0.90 PPARG (0.64) CA12CA1CA2CA9CA3
SCHEMBL1368062 0.90 PPARG (0.64) CA12CA1CA2CA9CA3
SCHEMBL27934305 0.90 CA12 (0.70) CA12CA1CA2CA9CA3
SCHEMBL26603083 0.88 CNR2 (0.73) CA12CA1CA2CA9CA3
SCHEMBL1367791 0.88 PPARG (0.64) CA12CA1CA2CA9CA3
SCHEMBL6688200 0.87 MAOA (0.64) CA12CA1CA2CA9CA3
Hydrochloric Acid SCHEMBL26603163 0.87 CNR2 (0.72) CA12CA1CA2CA9CA3
SCHEMBL27934310 0.87 CNR2 (0.69) CA12CA1CA2CA9CA3
SCHEMBL28155268 0.87 CA12 (0.74) CA12CA1CA2CA9CA3
SCHEMBL27915779 0.86 CNR2 (0.67) CA12CA1CA2CA9CA3

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 5 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
US-4303664-A Novel penicillin derivatives containing a coumarin nucleus and medicines containing the same TEIJIN LIMITED (JP) 1981-12-01 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 CA12 3622/4885CA1 963/4885CA2 3387/4885

“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.