SCHEMBL17852200

SCHEMBL17852200

CCC1O[C@H](O[C@H]2OC(COC(C)=O)[C@@H](O)C(O)[C@@H]2O)C(O)[C@H](O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.52
▸ GAA P10253 1/20 0.45
▸ PRKD3 O94806 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ PRKCH P24723 1/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ PRKCE Q02156 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ PRKD1 Q15139 1/20 0.43
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P4HB P07237 1/20 0.38
▸ CD44 P16070 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ NR3C1 P04150 1/20 0.36

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
SCHEMBL17852193 1.00 TLR4 (0.52) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL16361993 0.94 TLR4 (0.53) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL22381248 0.94 TLR4 (0.53) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL19958445 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL21944328 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL17853226 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL21943693 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL16361991 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL19961526 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB
SCHEMBL16351450 0.88 TLR4 (0.49) TLR4GAAPRKD3PRKCGPRKCB

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-20160176909-A1 REGIOSELECTIVE SILYL EXCHANGE OF PER-SILYLATED OLIGOSACCHARIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-23 — — 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-20160176909-A1 REGIOSELECTIVE SILYL EXCHANGE OF PER-SILYLATED OLIGOSACCHARIDES FUT6, SI, FUT5 TLR4 3182/4885GAA 187/4885PRKD3 4635/4885

“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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