SCHEMBL13655911

SCHEMBL13655911

CC(=O)OCC1O[C@H](O[C@@H]2C(COC(C)=O)O[C@H](OC(C)=O)C(OC(C)=O)[C@@H]2OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.66
THRB P10828 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CA2 P00918 13/20 0.59
NR3C1 P04150 1/20 0.57
FYN P06241 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADRA2B P18089 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
PRKCA P17252 1/20 0.54
AKT1 P31749 1/20 0.54
PTK2 Q05397 1/20 0.54
CA12 O43570 12/20 0.53
CA1 P00915 12/20 0.53
CA9 Q16790 12/20 0.53
TSHR P16473 1/20 0.53
CA14 Q9ULX7 2/20 0.52

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
SCHEMBL14365714 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL12157410 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL1582595 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL1582431 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL61751 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL10520478 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL13362481 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL21750083 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL21750089 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL181128 1.00 CYP2D6 (0.66) CYP2D6THRBHSD17B10CA2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258315-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2009-10-15 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-20090258315-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS ASIC1, PPA1, ALAD CYP2D6 2397/4885THRB 4614/4885HSD17B10 3990/4885

“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.