SCHEMBL9230804

SCHEMBL9230804

CCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.53
▸ SLC2A1 P11166 1/20 0.49
▸ DGKA P23743 1/20 0.49
▸ AKT1 P31749 2/20 0.46
▸ PAM P19021 2/20 0.45
▸ VEGFA P15692 3/20 0.45
▸ SELP P16109 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ LPAR1 Q92633 2/20 0.44
▸ LPAR3 Q9UBY5 2/20 0.44

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
SCHEMBL2200385 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL13561243 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL7049923 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL6286986 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL21662370 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9231092 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9229342 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL8506716 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL12427213 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2195712 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM

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
EP-0394280-B1 ESTERS OF GLYCOSIDES AND A PROCESS FOR ENZYMATIC PREPARATION THEREOF NOVO NORDISK AS (DK) 1995-04-05 — — EP claimed
US-20210161189-A1 MONOESTER SUGAR DERIVATIVES AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2021-06-03 — — US disclosed
WO-1994012651-A1 ENZYMATIC SYNTHESIS OF SUGAR ALCOHOL ESTERS NOVO NORDISK A/S (DK) 1994-06-09 — — WO 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-20210161189-A1 MONOESTER SUGAR DERIVATIVES AS FLAVOR MODIFIERS TAS2R40, TAS2R30, TAS2R50 TLR4 440/4885SLC2A1 187/4885DGKA 681/4885

“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