SCHEMBL1036795

SCHEMBL1036795

CCCCP(=O)(O)CCC(=O)OCCO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
DGKA P23743 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRR1 P24046 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ACHE P22303 1/20 0.41
DNM1 Q05193 1/20 0.39
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
LPAR6 P43657 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR4 Q99677 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ENPP2 Q13822 1/20 0.37
P2RY10 O00398 3/20 0.36
GPR34 Q9UPC5 1/20 0.36

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
SCHEMBL9290907 0.90 DGKA (0.48) DGKAGABBR2GABRR1GABBR1DNM1
SCHEMBL1038517 0.90 MGLL (0.43) MGLLDGKAACHEDNM1HTR2C
SCHEMBL1037481 0.86 DGKA (0.50) MGLLDGKADNM1HTR2CNAAA
SCHEMBL1037005 0.84 MGLL (0.41) MGLLDGKAGABBR2GABBR1ACHE
SCHEMBL9290937 0.83 DGKA (0.55) DGKADNM1HTR2CNAAALPAR6
SCHEMBL1037012 0.83 DGKA (0.48) DGKAGABBR2GABRR1GABBR1DNM1
Phosphoric Acid SCHEMBL8003021 0.79 DGKA (0.69) MGLLDGKADNM1LPAR6LPAR1
SCHEMBL2256272 0.78 DGKA (0.65) MGLLDGKAACHEDNM1HTR2C
SCHEMBL8845277 0.77 DGKA (0.50) DGKADNM1HTR2CNAAA
SCHEMBL28224918 0.77 DGKA (0.50) MGLLDGKAGABBR2GABRR1GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832596-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT FINANCE BVI LTD (VG) 2011-01-26 EP claimed
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD 2007-09-13 US claimed
EP-1832596-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP claimed
EP-1832596-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT FINANCE BVI LTD (VG) 2011-01-26 EP disclosed
US-7485745-B2 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD. (CH) 2009-02-03 US disclosed
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
EP-1832596-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP 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-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components ALKBH3, FFAR3, EBP MGLL 95/4885DGKA 108/4885GABBR2 343/4885

“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.