SCHEMBL20306177

SCHEMBL20306177

OCC1O[C@@H](Oc2cccc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c2)C(O)C(O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.68
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ G6PD P11413 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ SLC28A3 Q9HAS3 1/20 0.56
▸ CA12 O43570 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 1/20 0.55

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
SCHEMBL16788364 1.00 TYR (0.68) TYRPOLBKDM4EGAAMAPT
SCHEMBL17366541 1.00 TYR (0.68) TYRPOLBKDM4EGAAMAPT
SCHEMBL11157080 1.00 TYR (0.68) TYRPOLBKDM4EGAAMAPT
SCHEMBL16785944 1.00 TYR (0.68) TYRPOLBKDM4EGAAMAPT
SCHEMBL8656135 0.91 TYR (0.69) TYRPOLBKDM4EGAAMAPT
SCHEMBL8656862 0.91 TYR (0.69) TYRPOLBKDM4EGAAMAPT
SCHEMBL28029096 0.91 TYR (0.61) TYRPOLBKDM4EGAAMAPT
SCHEMBL8656133 0.91 TYR (0.69) TYRPOLBKDM4EGAAMAPT
SCHEMBL14120458 0.91 POLB (0.67) TYRPOLBSLC28A3CA12CA9
SCHEMBL8654192 0.91 TYR (0.69) 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 1 patent. 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

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-10004222-B2 Small molecule ice recrystallization inhibitors and methods of use thereof MCL1, IDH3B, IDH3A TYR 3135/4885POLB 2780/4885KDM4E 1945/4885

“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.

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