SCHEMBL13058680

SCHEMBL13058680

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@@H]1C(O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@H](O)C1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O)OCCCCCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.58
AKT2 P31751 4/20 0.58
AKT3 Q9Y243 4/20 0.58
PIK3R1 P27986 3/20 0.58
PIK3CA P42336 3/20 0.58
PLCG2 P16885 1/20 0.52
GAB1 Q13480 1/20 0.52
LPAR1 Q92633 4/20 0.48
LPAR3 Q9UBY5 4/20 0.48
MAPK14 Q16539 2/20 0.47
LPAR2 Q9HBW0 1/20 0.43

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
SCHEMBL13058701 0.97 AKT1 (0.54) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058759 0.94 AKT1 (0.52) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058762 0.94 AKT1 (0.52) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058766 0.92 AKT1 (0.52) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058765 0.92 AKT1 (0.52) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058692 0.92 AKT1 (0.52) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058682 0.90 AKT1 (0.56) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058685 0.90 AKT1 (0.56) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058684 0.89 PLCG2 (0.55) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13058693 0.88 AKT1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2010-11-25 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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES PIK3CA, PIK3CB, PIK3CG AKT1 260/4885AKT2 216/4885AKT3 240/4885

“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.