SCHEMBL3175395

SCHEMBL3175395

CC(C)(C)c1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SLC28A3 Q9HAS3 3/20 0.46
TYR P14679 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL3175387 1.00 POLB (0.47) POLBSLC28A3TYRL3MBTL1MAPT
SCHEMBL13456979 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL4416998 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL1315483 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL16906157 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL4620889 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL1263104 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL11986810 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL22504483 0.84 AKR1B1 (0.56) SLC28A3TYRL3MBTL1
SCHEMBL31689142 0.84 TYR (0.58) SLC28A3TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF RDW PHARMA (FR) 2010-01-21 US claimed
US-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF RDW PHARMA (FR) 2010-01-21 US disclosed
US-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF RDW PHARMA (FR) 2010-01-21 US disclosed
EP-2041152-A1 D-GLUCOPYRANOSE 1-[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZOATE] COMPOUND AND ITS DERIVATIVES, PREPARATION THEREOF AND USES THEREOF RDW Pharma (FR) 2009-04-01 EP disclosed
EP-2041152-A1 D-GLUCOPYRANOSE 1-[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZOATE] COMPOUND AND ITS DERIVATIVES, PREPARATION THEREOF AND USES THEREOF RDW Pharma (FR) 2009-04-01 EP disclosed
WO-2008000920-A1 D-GLUCOPYRANOSE 1-[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZOATE] COMPOUND AND ITS DERIVATIVES, PREPARATION THEREOF AND USES THEREOF RDW PHARMA (FR) 2008-01-03 WO disclosed
WO-2008000920-A1 D-GLUCOPYRANOSE 1-[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZOATE] COMPOUND AND ITS DERIVATIVES, PREPARATION THEREOF AND USES THEREOF RDW PHARMA (FR) 2008-01-03 WO 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-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF G6PD, PIGS, GALE POLB 903/4885SLC28A3 3554/4885TYR 1699/4885

“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.