SCHEMBL1036029

SCHEMBL1036029

CCP(=O)(O)CCC(=O)OCCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
P2RY10 O00398 4/20 0.36
GPR34 Q9UPC5 2/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2352361 0.98 GABBR2 (0.39) ACHENAAADGKAHTR2CPRSS1
SCHEMBL1037005 0.86 MGLL (0.41) ACHEDGKAGABBR2GABBR1
SCHEMBL2355094 0.83 ACHE (0.40) ACHENAAADGKAHTR2CPRSS1
SCHEMBL1037481 0.81 DGKA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL13498178 0.81 FAAH (0.53) P2RY10GPR34
SCHEMBL13109397 0.80 TSHR (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL258496 0.77 TSHR (0.49) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL2526191 0.77 NAAA (0.55) ACHENAAADGKAHTR2CPRSS1
SCHEMBL2525587 0.77 NAAA (0.55) ACHENAAADGKAHTR2CPRSS1
SCHEMBL7267842 0.77 NAAA (0.55) ACHENAAADGKAHTR2CPRSS1

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 ACHE 4792/4885NAAA 3904/4885DGKA 108/4885

“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.