SCHEMBL4205646

SCHEMBL4205646

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.47
▸ ENPP2 Q13822 2/20 0.35
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LPAR3 Q9UBY5 1/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ LY96 Q9Y6Y9 1/20 0.32

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
SCHEMBL4203561 1.00 TLR4 (0.47) TLR4ENPP2RECQLBLMTDP1
SCHEMBL4198679 0.94 TLR4 (0.42) TLR4ENPP2RECQLBLMTDP1
SCHEMBL4195385 0.93 TLR4 (0.48) TLR4LPAR3
SCHEMBL12600777 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL13302940 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL10042154 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL10071017 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL12601159 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL10042143 0.90 TLR4 (0.59) TLR4LY96
SCHEMBL13791997 0.90 TLR4 (0.59) 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 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 294/4885ENPP2 68/4885RECQL 3086/4885

“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.

Send feedback