SCHEMBL10103039

SCHEMBL10103039

CCCC(=O)OC[C@H]1O[C@H](Oc2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 2/20 0.46
▸ SLC5A2 P31639 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ APP P05067 1/20 0.46
▸ CA12 O43570 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 2/20 0.43
▸ TLR4 O00206 1/20 0.43

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
SCHEMBL10103009 1.00 SLC5A1 (0.46) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10103013 0.89 APP (0.56) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10103048 0.89 APP (0.56) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10102899 0.85 SLC5A1 (0.43) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10108861 0.85 SLC5A1 (0.43) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10102861 0.85 SLC5A1 (0.43) SLC5A1SLC5A2TDP1TYRAPP
SCHEMBL10103041 0.83 TYR (0.48) SLC5A1SLC5A2TDP1TYR
SCHEMBL10103011 0.83 TYR (0.48) SLC5A1SLC5A2TDP1TYR
SCHEMBL21681151 0.81 TLR4 (0.49) TDP1TYRTLR4
SCHEMBL20521198 0.81 TLR4 (0.49) TDP1TYRTLR4

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-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs NuTek Pharma Ltd. 2012-01-26 — — 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-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs UGT1A3, GCG, UGT1A1 SLC5A1 62/4885SLC5A2 79/4885TDP1 2646/4885

“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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