SCHEMBL14094694

SCHEMBL14094694

CCCCO[C@@H]1[C@H](OP(C)(=O)O)[C@@H](OP(C)(=O)O)[C@H](OCCCC)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
ITPR3 Q14573 6/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
ITPR2 Q14571 2/20 0.38
ITPR1 Q14643 2/20 0.38
INPPL1 O15357 1/20 0.38
AKT1 P31749 1/20 0.38
GBA1 P04062 1/20 0.38
SMPD1 P17405 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8500649 0.93 PDPK1 (0.47) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3069188 0.93 PDPK1 (0.47) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL8496685 0.93 PDPK1 (0.47) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3073627 0.93 PDPK1 (0.47) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL7751818 0.87 LPAR3 (0.52) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3086336 0.87 LPAR3 (0.52) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3080816 0.87 LPAR3 (0.52) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3086058 0.86 LPAR3 (0.55) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL3081758 0.86 LPAR3 (0.55) PDPK1MTORITPR3LPAR3LPAR1
SCHEMBL8496576 0.83 ITPR3 (0.57) ITPR3ITPR2ITPR1INPPL1AKT1

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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 PDPK1 29/4885MTOR 122/4885ITPR3 23/4885

“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.