SCHEMBL1037012

SCHEMBL1037012

CCCCOC(=O)CCP(=O)(O)CCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 1/20 0.44
ATM Q13315 1/20 0.41
DNM1 Q05193 1/20 0.41
P2RY10 O00398 4/20 0.41
GPR34 Q9UPC5 2/20 0.41
GABBR2 O75899 1/20 0.40
GABRR1 P24046 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL9290907 0.93 DGKA (0.48) DGKANAAAALDH1A1HTR2CATM
SCHEMBL1038517 0.86 MGLL (0.43) DGKAHTR2CDNM1P2RY10
Butane SCHEMBL2242245 0.84 DGKA (0.50) DGKANAAAALDH1A1HTR2CATM
SCHEMBL2397915 0.84 DGKA (0.50) DGKANAAAALDH1A1HTR2CATM
SCHEMBL27972013 0.84 DGKA (0.50) DGKANAAAALDH1A1HTR2CATM
SCHEMBL8845338 0.84 DGKA (0.50) DGKANAAAALDH1A1HTR2CATM
SCHEMBL9290937 0.83 DGKA (0.55) DGKANAAAHTR2CDNM1
SCHEMBL1036795 0.83 MGLL (0.48) DGKANAAAHTR2CDNM1P2RY10
SCHEMBL1037481 0.82 DGKA (0.50) DGKANAAAHTR2CDNM1P2RY10
SCHEMBL28392407 0.81 DGKA (0.52) DGKANAAAALDH1A1HTR2CATM

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 DGKA 108/4885NAAA 3904/4885ALDH1A1 1763/4885

“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.