SCHEMBL3659593

SCHEMBL3659593

COc1cc(C=O)c(O)c(CN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.49
CYP2C9 P11712 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7515175 0.83 HSD17B10 (0.55) ERN1CYP2C9HSD17B10ALOX15CYP3A4
SCHEMBL10030805 0.81 MAPT (0.55) CYP2C9HSD17B10ALOX15SMN1; SMN2CYP3A4
SCHEMBL16119943 0.81 ERN1 (0.53) ERN1CYP2C9HSD17B10ALOX15CYP3A4
SCHEMBL3084230 0.81 CYP2C9 (0.58) ERN1CYP2C9HSD17B10ALOX15CYP3A4
SCHEMBL27786408 0.80 ERN1 (0.52) ERN1CYP2C9HSD17B10ALOX15CYP3A4
SCHEMBL7512813 0.80 ERN1 (0.49) ERN1CYP2C9HSD17B10ALOX15CYP3A4
SCHEMBL3662566 0.79 ERN1 (0.49) ERN1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL22512394 0.78 CA1 (0.51) CYP2C9HSD17B10ALOX15SMN1; SMN2CYP3A4
SCHEMBL3103923 0.77 GAA (0.53) CYP2C9HSD17B10ALOX15SMN1; SMN2MAPT
SCHEMBL20462857 0.77 ERN1 (0.49) ERN1CYP2C9HSD17B10ALOX15CYP3A4

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
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-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ERN1 1510/4885CYP2C9 4774/4885HSD17B10 464/4885

“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.