SCHEMBL10042131

SCHEMBL10042131

CCCCCC/C=C\CCCCCCCCCC(=O)NC1C(OC)OC(COC)C(C)C1OCCC(CCCCCCC)OC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.61
▸ LPAR1 Q92633 1/20 0.39
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ LY96 Q9Y6Y9 3/20 0.36
▸ SELP P16109 4/20 0.36

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
SCHEMBL14136535 0.93 TLR4 (0.70) TLR4SELP
SCHEMBL12836658 0.91 TLR4 (0.58) TLR4LPAR1CNR1CNR2TRPV1
SCHEMBL12836667 0.89 TLR4 (0.76) TLR4LY96
SCHEMBL13286608 0.89 TLR4 (0.76) TLR4LY96
SCHEMBL13302898 0.89 TLR4 (0.76) TLR4LY96
SCHEMBL17471186 0.85 TLR4 (0.60) TLR4CNR1CNR2TRPV1LY96
SCHEMBL15292202 0.85 TLR4 (0.60) TLR4CNR1CNR2TRPV1LY96
SCHEMBL13325121 0.85 TLR4 (0.65) TLR4LY96
SCHEMBL13803955 0.85 TLR4 (0.65) TLR4LY96
SCHEMBL12601161 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207144-B2 Improves the stability over time of a corresponding tetrasodium salt useful as a preventive or therapeutic for septicemia, endotoxemia or improving prognosis following coronary artery bypass surgery EISAI R & D MANAGEMENT CO., LTD. (JP) 2012-06-26 — — US disclosed
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same EISAI R&D MANAGEMENT CO., LTD. 2008-09-18 — — 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 (2 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-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same MAN2A1, MAN2B2, MAN2B1 TLR4 557/4885LPAR1 1020/4885CNR1 1532/4885
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME MAN2B2, MAN2A1, MAN2B1 TLR4 1500/4885LPAR1 2295/4885CNR1 3206/4885

“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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