SCHEMBL12371535

SCHEMBL12371535

C=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@@H](CCCCCCC)OC)[C@@H](C)C(O)O[C@@H]1COC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 5/20 0.44
▸ SMPD1 P17405 2/20 0.35
▸ AKT1 P31749 4/20 0.32
▸ AKT2 P31751 3/20 0.32
▸ AKT3 Q9Y243 3/20 0.32
▸ PIK3R1 P27986 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PLCG2 P16885 1/20 0.30
▸ GAB1 Q13480 1/20 0.30

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
SCHEMBL4198761 0.89 TLR4 (0.52) TLR4SMPD1AKT1AKT2AKT3
SCHEMBL4201320 0.85 TLR4 (0.50) TLR4
SCHEMBL4195266 0.85 TLR4 (0.50) TLR4
SCHEMBL4201319 0.85 TLR4 (0.50) TLR4
SCHEMBL12371527 0.85 TLR4 (0.41) TLR4
SCHEMBL12371534 0.84 TLR4 (0.41) TLR4
SCHEMBL13792001 0.84 TLR4 (0.54) TLR4
SCHEMBL10042153 0.84 TLR4 (0.62) TLR4
SCHEMBL13791956 0.84 TLR4 (0.62) TLR4
SCHEMBL12763043 0.84 TLR4 (0.54) 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 4 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
US-7737129-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-06-15 — — US disclosed
US-20080214802-A1 Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia EISAI CO., LTD. (JP) 2008-09-04 — — 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-20080214802-A1 Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia LIPG, FUT6, UGCG TLR4 94/4885SMPD1 140/4885AKT1 1947/4885
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG TLR4 94/4885SMPD1 140/4885AKT1 1947/4885

“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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