SCHEMBL24247677

SCHEMBL24247677

CCCCCCCCCCCCCCCC(=O)OC1C(NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C)[C@@H](CO)OC(CO[C@@H]2OC(COCc3ccccc3)[C@@H](OP(=O)(OCc3ccccc3)OCc3ccccc3)C(OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.62
▸ LY96 Q9Y6Y9 5/20 0.41

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
SCHEMBL7714520 0.92 TLR4 (0.60) TLR4LY96
SCHEMBL2306482 0.89 TLR4 (0.58) TLR4LY96
SCHEMBL2314049 0.89 TLR4 (0.58) TLR4LY96
SCHEMBL18789816 0.87 TLR4 (0.57) TLR4LY96
SCHEMBL2311639 0.86 TLR4 (0.53) TLR4
SCHEMBL2312622 0.86 TLR4 (0.54) TLR4
SCHEMBL2312604 0.85 TLR4 (0.53) TLR4
SCHEMBL2306676 0.85 TLR4 (0.56) TLR4
SCHEMBL2315995 0.85 TLR4 (0.56) TLR4
SCHEMBL2316002 0.85 TLR4 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF ALBERTA RES CHEMICALS INC (CA) 2022-02-17 — — 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-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF TLR3, TLR4, TLR9 TLR4 2/4885LY96 69/4885

“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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