SCHEMBL19079148

SCHEMBL19079148

CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN)[C@@H](O)[C@H](O)C1C)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.43
▸ LPAR1 Q92633 4/20 0.42
▸ LPAR3 Q9UBY5 4/20 0.42
▸ LPAR6 P43657 3/20 0.42
▸ LPAR4 Q99677 3/20 0.42
▸ LPAR5 Q9H1C0 3/20 0.42
▸ LPAR2 Q9HBW0 3/20 0.42
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ AKT1 P31749 7/20 0.40
▸ AKT2 P31751 6/20 0.40

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
SCHEMBL19079096 1.00 GJB2 (0.43) GJB2LPAR1LPAR3LPAR6LPAR4
SCHEMBL14666207 0.90 MAPK1 (0.46) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL17309403 0.89 GJB2 (0.47) GJB2LPAR1LPAR3LPAR6LPAR4
SCHEMBL22543399 0.89 GJB2 (0.47) GJB2LPAR1LPAR3LPAR6LPAR4
SCHEMBL19079088 0.89 GJB2 (0.47) GJB2LPAR1LPAR3LPAR6LPAR4
SCHEMBL19079149 0.83 LPAR1 (0.40) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL19079098 0.83 LPAR1 (0.40) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL18349786 0.83 GJB2 (0.49) GJB2
SCHEMBL23000963 0.80 CETP (0.53) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL17188245 0.80 CETP (0.53) LPAR1LPAR3LPAR6LPAR4LPAR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells THE UNIV OF MANITOBA (CA) 2017-07-06 — — 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 (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-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells UGCG, PNLIP, B3GAT3 GJB2 4072/4885LPAR1 345/4885LPAR3 157/4885

“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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