SCHEMBL4194107

SCHEMBL4194107

C=CCOC(=O)O[C@@H](CCCCCCCCCCC)CCO[C@@H]1[C@@H](OCCCCCCCCCCCC)[C@H](OC(=O)OCC=C)[C@@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(=O)(OCC=C)OCC=C)[C@H](OCC[C@H](CCCCCCC)OC)[C@H]2OC(=O)CCCCCCCCC/C=C\CCCCCC)O[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.50
▸ ENPP2 Q13822 1/20 0.33
▸ NR5A2 O00482 1/20 0.32
▸ NR5A1 Q13285 1/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.31

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
SCHEMBL4194102 1.00 TLR4 (0.50) TLR4ENPP2NR5A2NR5A1DAGLA
SCHEMBL4203280 0.95 TLR4 (0.49) TLR4
SCHEMBL4205271 0.95 TLR4 (0.49) TLR4
SCHEMBL4203283 0.95 TLR4 (0.49) TLR4
SCHEMBL4197294 0.93 TLR4 (0.54) TLR4ENPP2NR5A2NR5A1
SCHEMBL4199819 0.91 TLR4 (0.49) TLR4ENPP2
SCHEMBL4205336 0.90 TLR4 (0.50) TLR4ENPP2NR5A2NR5A1
SCHEMBL4199916 0.90 TLR4 (0.61) TLR4
SCHEMBL4199913 0.90 TLR4 (0.61) TLR4
SCHEMBL4196596 0.89 TLR4 (0.47) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062214-A1 Left-Side Glucose Lipid a Analogue SANKYO COMPANY, LTD. (JP) 2009-03-05 — — US disclosed
EP-1702926-A1 LEVULOSE GLUCOSELIPID A ANALOGUE Sankyo Company, Limited (JP) 2006-09-20 — — EP 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-20090062214-A1 Left-Side Glucose Lipid a Analogue SLC2A3, GPR119, SLC2A2 TLR4 294/4885ENPP2 68/4885NR5A2 1978/4885

“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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