SCHEMBL1314342

SCHEMBL1314342

O=C(O)CP(=O)(O)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
POLB P06746 1/20 0.57
CETP P11597 1/20 0.56
CYP2D6 P10635 1/20 0.50
KEAP1 Q14145 1/20 0.50
MAPK1 P28482 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
HDAC3 O15379 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL11510970 0.89 TSHR (0.62) TSHRPOLBCETPKEAP1MAPK1
SCHEMBL7379076 0.87 TSHR (0.66) TSHRPOLBCETPKEAP1MAPK1
SCHEMBL6030731 0.86 TSHR (0.88) TSHRPOLBCETPCYP2D6KEAP1
SCHEMBL2517900 0.84 TSHR (0.84) TSHRPOLBCETPCYP2D6KEAP1
SCHEMBL2172375 0.83 TSHR (0.70) TSHRPOLBCETPCYP2D6KEAP1
Fosfonet SCHEMBL413303 0.80 TSHR (0.58) TSHRKEAP1MAPK1CA12CA1
SCHEMBL1358597 0.78 TSHR (0.75) TSHRPOLBCETPCYP2D6MAPK1
SCHEMBL2488080 0.78 TSHR (0.69) TSHRPOLBCETPCYP2D6MAPK1
SCHEMBL1101314 0.77 TSHR (0.67) TSHRPOLBCETPCYP2D6CA12
SCHEMBL20575202 0.77 TSHR (0.67) TSHRPOLBCETPCYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
EP-2379569-B1 PROCESS FOR PREPARING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS BY MEANS OF ALKYLENE OXIDES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2373669-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-09-11 EP 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
EP-2379569-A1 PROCESS FOR PREPARING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS BY MEANS OF ALKYLENE OXIDES AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
EP-2373669-A1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF Clariant International Ltd. (CH) 2011-10-12 EP disclosed
EP-2373667-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 International Ltd. (CH) 2011-10-12 EP 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
WO-2010069416-A1 PROCESS FOR PREPARING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS BY MEANS OF ALKYLENE OXIDES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed
WO-2010063342-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 INTERNATIONAL LTD (CH) 2010-06-10 WO disclosed
WO-2010063344-A1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-10 WO disclosed
US-4168267-A Phosphinylalkanoyl prolines E. R. SQUIBB & SONS, INC. (US) 1979-09-18 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 TSHR 1600/4885POLB 1579/4885CETP 855/4885
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 TSHR 1785/4885POLB 2235/4885CETP 861/4885

“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.