SCHEMBL17309400

SCHEMBL17309400

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AKT1 P31749 4/20 0.43
▸ AKT2 P31751 4/20 0.43
▸ AKT3 Q9Y243 4/20 0.43
▸ PIK3R1 P27986 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ LPAR6 P43657 3/20 0.42
▸ LPAR1 Q92633 3/20 0.42
▸ LPAR4 Q99677 3/20 0.42
▸ LPAR5 Q9H1C0 3/20 0.42
▸ LPAR2 Q9HBW0 3/20 0.42
▸ LPAR3 Q9UBY5 3/20 0.42
▸ GJB2 P29033 1/20 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

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
SCHEMBL17309226 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL17309229 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL17309225 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL7167831 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL19079080 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL19079073 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL19079084 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL17817172 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL19079083 1.00 CETP (0.45) CETPMAPK1AKT1AKT2AKT3
SCHEMBL22543399 0.91 GJB2 (0.47) AKT1AKT2AKT3PIK3R1PIK3CA

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-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
WO-2015179983-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 UNIVERSITY OF MANITOBA (CA) 2015-12-03 — — 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-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 CETP 253/4885MAPK1 1285/4885AKT1 1787/4885

“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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