SCHEMBL1315919

SCHEMBL1315919

CCCCP(=O)(O)C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.42
GABBR2 O75899 1/20 0.41
GABRR1 P24046 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FDPS P14324 2/20 0.39

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
SCHEMBL1036993 0.92 LPAR3 (0.52) TRPM8LPAR3LPAR2
SCHEMBL1313868 0.87 CHRM1 (0.36) FDPS
SCHEMBL11019755 0.81 TRPM8 (0.54) TRPM8
SCHEMBL338997 0.80 TRPM8 (0.39) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL1313336 0.78 ANPEP (0.37)
SCHEMBL17626604 0.78 TRPM8 (0.50) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL338652 0.76 TRPM8 (0.44) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL339910 0.75 LPAR3 (0.45) TRPM8LPAR3LPAR2
SCHEMBL2487476 0.74 TRPM8 (0.61) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL11509442 0.73 TSHR (0.49) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085734-B2 Process for preparing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts by means of alkylene oxides and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-07-21 US disclosed
US-8987489-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ether and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
US-8735476-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-20110275744-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ether and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-10 US disclosed
US-20110245385-A1 Process for Preparing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts by Means of Alkylene Oxides and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-06 US disclosed
US-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 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 (3 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-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof SCO2, HAO2, DAO TRPM8 4125/4885GABBR2 1749/4885GABRR1 2399/4885
US-20110245385-A1 Process for Preparing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts by Means of Alkylene Oxides and Use Thereof AGL, ACSL3, MGLL TRPM8 3747/4885GABBR2 3128/4885GABRR1 3616/4885
US-20110275744-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ether and the Use Thereof SCO2, HAO2, ACSL3 TRPM8 4210/4885GABBR2 1627/4885GABRR1 2779/4885

“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.