SCHEMBL6567651

SCHEMBL6567651

CCCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.69
▸ LY96 Q9Y6Y9 6/20 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
SCHEMBL6567647 1.00 TLR4 (0.69) TLR4LY96
SCHEMBL10611580 0.95 TLR4 (0.64) TLR4LY96
SCHEMBL9626318 0.90 TLR4 (0.60) TLR4LY96
SCHEMBL9626327 0.88 TLR4 (0.57) TLR4LY96
SCHEMBL3925341 0.87 TLR4 (0.69) TLR4LY96
SCHEMBL3938094 0.87 TLR4 (0.69) TLR4LY96
SCHEMBL3928509 0.87 TLR4 (0.69) TLR4LY96
SCHEMBL3937496 0.87 TLR4 (0.69) TLR4LY96
SCHEMBL3933640 0.87 TLR4 (0.64) TLR4LY96
SCHEMBL3925303 0.87 TLR4 (0.64) TLR4LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105401-B1 PHOSPHOGLYCOLIPID AND METHODS FOR ITS USE CORIXA CORP (US) 2004-04-07 — — EP disclosed
US-20020013291-A1 Phosphoglycolipid and methods for its use CORIXA CORPORATION 2002-01-31 — — US disclosed
US-6013640-A ANTIISCHEMIC AGENTS RIBI IMMUNOCHEM RESEARCH, INC. (US) 2000-01-11 — — 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 (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-20020013291-A1 Phosphoglycolipid and methods for its use PYGL, GPI, PNLIP TLR4 314/4885LY96 378/4885

“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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