SCHEMBL19079099

SCHEMBL19079099

CCCCCCCCCCCCCCCCOCCCO[C@@H]1OC(CN)[C@@H](O)[C@H](O)C1N

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.54
▸ GBA1 P04062 2/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ SPHK2 Q9NRA0 2/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.44
▸ LRAT O95237 1/20 0.41

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
SCHEMBL22543403 1.00 GJB2 (0.54) GJB2GBA1MAPK1SPHK2SPHK1
SCHEMBL11505189 0.89 GJB2 (0.51) GJB2GBA1MAPK1LRAT
SCHEMBL11505190 0.89 GJB2 (0.51) GJB2GBA1MAPK1LRAT
SCHEMBL15184676 0.84 MAPK1 (0.53) GJB2GBA1MAPK1SPHK2SPHK1
SCHEMBL15184661 0.84 MAPK1 (0.53) GJB2GBA1MAPK1SPHK2SPHK1
SCHEMBL15184654 0.84 MAPK1 (0.53) GJB2GBA1MAPK1SPHK2SPHK1
SCHEMBL17640864 0.83 MAPK1 (0.61) GJB2GBA1MAPK1
SCHEMBL16250422 0.83 MAPK1 (0.61) GJB2GBA1MAPK1
SCHEMBL28364147 0.83 MAPK1 (0.61) GJB2GBA1MAPK1
SCHEMBL28995607 0.83 MAPK1 (0.61) GJB2GBA1MAPK1

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 4072/4885GBA1 154/4885MAPK1 1285/4885

“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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