SCHEMBL17366540

SCHEMBL17366540

OCC1O[C@@H](Oc2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc2)C(O)C(O)[C@@H]1O

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.87
POLB P06746 2/20 0.63
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
G6PD P11413 1/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL13396040 1.00 TYR (0.87) TYRPOLBKDM4EGAAMAPT
SCHEMBL20306176 1.00 TYR (0.87) TYRPOLBKDM4EGAAMAPT
SCHEMBL16785945 1.00 TYR (0.87) TYRPOLBKDM4EGAAMAPT
SCHEMBL16788363 1.00 TYR (0.87) TYRPOLBKDM4EGAAMAPT
SCHEMBL20056609 0.95 TYR (0.79) TYRPOLB
Arbutin SCHEMBL18175043 0.93 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL13054606 0.93 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL12998301 0.93 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL13956277 0.93 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL36352 0.93 TYR (1.00) TYRPOLBKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004222-B2 Small molecule ice recrystallization inhibitors and methods of use thereof THE UNIVERSITY OF OTTAWA (CA) 2018-06-26 US disclosed
US-20150373968-A1 Small Molecule Ice Recrystallization Inhibitors And Methods Of Use Thereof THE UNIVERSITY OF OTTAWA (CA) 2015-12-31 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-10004222-B2 Small molecule ice recrystallization inhibitors and methods of use thereof MCL1, IDH3B, IDH3A TYR 3135/4885POLB 2780/4885KDM4E 1945/4885
US-20150373968-A1 Small Molecule Ice Recrystallization Inhibitors And Methods Of Use Thereof MCL1, DCX, IDH3B TYR 2787/4885POLB 3122/4885KDM4E 985/4885

“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.