SCHEMBL13612794

SCHEMBL13612794

CC(=O)OCC1OCC[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.49
CA1 P00915 11/20 0.49
CA2 P00918 11/20 0.49
CA9 Q16790 7/20 0.49
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
NR3C1 P04150 1/20 0.42
FYN P06241 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRA2B P18089 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.38
CA4 P22748 4/20 0.37
CA5A P35218 4/20 0.37
CA7 P43166 4/20 0.37

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
SCHEMBL14339480 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL12083315 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL19954491 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL5018117 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL23483196 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL24149168 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL24996814 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL23484227 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL23743617 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL25785684 1.00 CA12 (0.49) CA12CA1CA2CA9CYP2D6

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-7622498-B2 Sugar derivatives comprising oxiranes or α, β-unsaturated δ-lactones, process for their preparation and their utilisation as pesticides Instituto Politecnico de Santarem/Escoal Superior Agraria (PT) 2009-11-24 US disclosed
US-7538139-B2 Sugar derivatives comprising oxiranes or α, β-unsaturated γ-lactones, process for their preparation and their utilisation as pesticides Instituto Politecnico De Santarem/Escola Superior Agraria (PT) 2009-05-26 US disclosed
US-20080004339-A1 Sugar derivatives comprising oxiranes or alpha, beta-unsaturated delta-lactones, process for their preparation and their utilisation as pesticides Instituto Politecnico De Santarem/Escola Superior Agraria (PT) 2008-01-03 US disclosed
US-20070117865-A1 Sugar derivatives comprising oxiranes or alpha, beta-unsaturated gamma-lactones, process for their preparation and their utilisation as pesticides Instituto Politecnico De Santarem/Escola Superior Agraria (PT) 2007-05-24 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 (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-20070117865-A1 Sugar derivatives comprising oxiranes or alpha, beta-unsaturated gamma-lactones, process for their preparation and their utilisation as pesticides OXER1, OXSR1, CBR1 CA12 1564/4885CA1 630/4885CA2 1159/4885
US-20080004339-A1 Sugar derivatives comprising oxiranes or alpha, beta-unsaturated delta-lactones, process for their preparation and their utilisation as pesticides OXER1, CBR1, OXSR1 CA12 1526/4885CA1 570/4885CA2 760/4885

“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.