SCHEMBL12371591

SCHEMBL12371591

C/C=C\O[C@H]1O[C@H](CO)C(C)[C@H](OCCCCCCCCCC)[C@H]1NC(=O)CC(=O)CCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ TLR4 O00206 14/20 0.42
▸ LY96 Q9Y6Y9 6/20 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
SCHEMBL13296777 1.00 MAPK1 (0.42) MAPK1TLR4LY96
SCHEMBL13296765 1.00 MAPK1 (0.42) MAPK1TLR4LY96
SCHEMBL12560694 0.91 MAPK1 (0.49) MAPK1TLR4LY96
SCHEMBL12560669 0.91 MAPK1 (0.49) MAPK1TLR4LY96
SCHEMBL12762965 0.91 MAPK1 (0.49) MAPK1TLR4LY96
SCHEMBL12763047 0.91 MAPK1 (0.49) MAPK1TLR4LY96
SCHEMBL12371590 0.88 TLR4 (0.39) MAPK1TLR4LY96
SCHEMBL13296761 0.88 TLR4 (0.39) MAPK1TLR4LY96
SCHEMBL12560681 0.86 TLR4 (0.46) MAPK1TLR4LY96
SCHEMBL12762967 0.86 TLR4 (0.46) MAPK1TLR4LY96

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-7994154-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia Ersai R&D Management Co., Ltd. (JP) 2011-08-09 — — US disclosed
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-09-09 — — 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-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG MAPK1 3870/4885TLR4 94/4885LY96 382/4885

“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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