SCHEMBL2438352

SCHEMBL2438352

CC=CCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.42
PRKCA P17252 1/20 0.38
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTN3A1 O00481 4/20 0.33
CTSK P43235 2/20 0.33
ELANE P08246 1/20 0.31

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
SCHEMBL30542157 0.88 TK1 (0.49) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL14844517 0.85 TK1 (0.39) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL15968333 0.85 TK1 (0.39) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL2440145 0.83 TK1 (0.34) TK1CTSK
SCHEMBL2440148 0.83 TK1 (0.34) TK1CTSK
SCHEMBL19105225 0.83 TK1 (0.31) TK1CTSK
SCHEMBL5007600 0.81 PRKCA (0.41) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL24961271 0.80 TK1 (0.41) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL15870015 0.80 TK1 (0.41) TK1PRKCACYP4F2CYP4A11POLB
SCHEMBL15867620 0.80 TK1 (0.44) TK1PRKCACYP4F2CYP4A11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US claimed
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 claimed
EP-2373667-B1 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 LTD (VG) 2013-12-11 EP claimed
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 claimed
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 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-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 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 (2 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 TK1 337/4885PRKCA 1034/4885CYP4F2 408/4885
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 TK1 765/4885PRKCA 2662/4885CYP4F2 1389/4885

“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.