SCHEMBL16785948

SCHEMBL16785948

OCC1O[C@@H](Oc2ccccc2)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.74
▸ POLB P06746 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ EPHX2 P34913 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
SCHEMBL13981710 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL3797056 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL1007043 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL4307510 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL1004929 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL4651473 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL9148547 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL21477447 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL21189542 1.00 TYR (0.74) TYRPOLBATMEPHX2
SCHEMBL29051487 1.00 TYR (0.74) TYRPOLBATMEPHX2

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-10004222-B2 Small molecule ice recrystallization inhibitors and methods of use thereof THE UNIVERSITY OF OTTAWA (CA) 2018-06-26 — — US disclosed
US-9648869-B2 Small molecule ice recrystallization inhibitors and methods of use thereof THE UNIVERSITY OF OTTAWA (CA) 2017-05-16 — — 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
US-20150157010-A1 SMALL MOLECULE ICE RECRYSTALLIZATION INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF OTTAWA (CA) 2015-06-11 — — 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 (3 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-20150157010-A1 SMALL MOLECULE ICE RECRYSTALLIZATION INHIBITORS AND METHODS OF USE THEREOF PYGL, GYS2, GDI2 TYR 2483/4885POLB 2607/4885ATM 2018/4885
US-10004222-B2 Small molecule ice recrystallization inhibitors and methods of use thereof MCL1, IDH3B, IDH3A TYR 3135/4885POLB 2780/4885ATM 2574/4885
US-20150373968-A1 Small Molecule Ice Recrystallization Inhibitors And Methods Of Use Thereof MCL1, DCX, IDH3B TYR 2787/4885POLB 3122/4885ATM 496/4885

“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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