SCHEMBL980086

SCHEMBL980086

COc1cc(CN2CCOCC2)c2oc(=O)c(C(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
APP P05067 1/20 0.50
GPR35 Q9HC97 7/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL979181 0.83 GPR35 (0.52) CYP1A2APPGPR35CA12CA1
SCHEMBL2217484 0.77 KDM4E (0.55) APPKDM4EALDH1A1TP53MAPT
SCHEMBL30776770 0.74 TP53 (0.63) CYP1A2KDM4EALDH1A1HPGDTP53
SCHEMBL15598890 0.71 CYP1A2 (1.00) CYP1A2GPR35CA12CA1CA2
SCHEMBL29109456 0.71 LCK (0.52) KDM4EALDH1A1MAPT
SCHEMBL14551132 0.70 SMN1; SMN2 (0.54) APPKDM4EALDH1A1TP53MAPT
SCHEMBL14156010 0.70 HDAC1 (0.50) TP53
SCHEMBL2221724 0.69 HCRTR1 (0.59) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL10030805 0.68 MAPT (0.55) KDM4EALDH1A1MAPT
SCHEMBL11018569 0.68 KDM4E (0.53) APPKDM4EALDH1A1TP53MAPT

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 CYP1A2 3690/4885APP 164/4885GPR35 4234/4885

“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.