SCHEMBL4201667

SCHEMBL4201667

C=CCOC(=O)OC[C@H]1OC(O/C=C/C)[C@H](OCCCCCCCCCC/C=C\CCCCCC)[C@@H](OCC[C@@H](CCCCCCC)OC)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 3/20 0.46
▸ TNF P01375 1/20 0.33
▸ LPAR1 Q92633 3/20 0.33
▸ SLC2A1 P11166 1/20 0.31
▸ SELP P16109 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ AKT1 P31749 2/20 0.30
▸ AKT2 P31751 2/20 0.30
▸ AKT3 Q9Y243 2/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 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
SCHEMBL4193977 0.92 TLR4 (0.43) TLR4LPAR1SELP
SCHEMBL4207505 0.89 TLR4 (0.45) TLR4TNFSLC2A1AKT1AKT2
SCHEMBL4199865 0.88 TLR4 (0.45) TLR4LPAR1
SCHEMBL4193974 0.85 TLR4 (0.45) TLR4TNFSLC2A1SELPMAPK1
SCHEMBL4192662 0.83 TLR4 (0.44) TLR4TNFLPAR1
SCHEMBL4204041 0.83 TLR4 (0.43) TLR4LPAR1
SCHEMBL4200285 0.81 TLR4 (0.43) TLR4LPAR1
SCHEMBL4199867 0.79 TLR4 (0.49) TLR4
SCHEMBL4193821 0.79 TLR4 (0.43) TLR4LPAR1
SCHEMBL4196596 0.78 TLR4 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062214-A1 Left-Side Glucose Lipid a Analogue SANKYO COMPANY, LTD. (JP) 2009-03-05 — — US disclosed
EP-1702926-A1 LEVULOSE GLUCOSELIPID A ANALOGUE Sankyo Company, Limited (JP) 2006-09-20 — — EP 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-20090062214-A1 Left-Side Glucose Lipid a Analogue SLC2A3, GPR119, SLC2A2 TLR4 294/4885TNF 2749/4885LPAR1 56/4885

“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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