SCHEMBL13791323

SCHEMBL13791323

C=CCOP(=O)(OCC=C)OC1[C@@H](COC)OC(O)[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCC)[C@H]1OCC[C@@H](CCCCCCC)OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.62
▸ ENPP2 Q13822 2/20 0.35
▸ LY96 Q9Y6Y9 4/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL13791956 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL13803964 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL12601328 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL14136540 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL10070897 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL10042153 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL12600464 1.00 TLR4 (0.62) TLR4ENPP2LY96LPAR1LPAR2
SCHEMBL13792001 0.93 TLR4 (0.54) TLR4ENPP2
SCHEMBL12763043 0.93 TLR4 (0.54) TLR4ENPP2
SCHEMBL13325121 0.92 TLR4 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149647-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-11 — — 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-20090149647-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE DDOST, PHOSPHO1, DCPS TLR4 2691/4885ENPP2 1252/4885LY96 3397/4885

“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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