SCHEMBL2642072

SCHEMBL2642072

CCOC(=O)C1CCCC1OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ALDH1A1 P00352 3/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FKBP1A P62942 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6294159 0.87 TP53 (0.36) TP53CYP3A4TAS1R3TAS1R1ALDH1A1
SCHEMBL2016829 0.77 ALDH1A1 (0.44) CYP3A4ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL10306775 0.76 ALDH1A1 (0.36) CYP3A4ALDH1A1POLBCYP2D6CYP2C19
SCHEMBL14891097 0.76 MEN1 (0.43) CYP3A4ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL10306778 0.76 ALDH1A1 (0.36) CYP3A4ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL3947490 0.74 ALDH1A1 (0.38) TP53CYP3A4TAS1R3TAS1R1ALDH1A1
SCHEMBL9482769 0.74 ALDH1A1 (0.41) TP53CYP3A4TAS1R3TAS1R1ALDH1A1
SCHEMBL3825711 0.74 ALDH1A1 (0.41) TP53CYP3A4TAS1R3TAS1R1ALDH1A1
SCHEMBL9481994 0.74 ALDH1A1 (0.38) TP53CYP3A4TAS1R3TAS1R1ALDH1A1
SCHEMBL12799125 0.74 ALDH1A1 (0.38) TP53CYP3A4ALDH1A1PPM1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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 (2 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK TP53 4401/4885CYP3A4 971/4885TAS1R3 3780/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK TP53 4401/4885CYP3A4 971/4885TAS1R3 3780/4885

“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.