SCHEMBL2170901

SCHEMBL2170901

O=C(O)CC(c1ccccc1)P(=O)(O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.62
ACP3 P15309 3/20 0.55
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.42
KEAP1 Q14145 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
CETP P11597 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
CA9 Q16790 1/20 0.41
CPA1 P15085 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 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
SCHEMBL2171241 0.83 ACP3 (0.44) CYP2D6ACP3GABBR2GABBR1
SCHEMBL2171120 0.81 CYP2D6 (0.62) CYP2D6ACP3TSHRALDH1A1POLB
SCHEMBL2352255 0.80 CYP2D6 (0.65) CYP2D6ACP3TSHRALDH1A1POLB
SCHEMBL2170906 0.80 TSHR (0.43) ACP3TSHRCETP
SCHEMBL2171520 0.79 ACP3 (0.46) ACP3POLBGABBR2GABBR1
SCHEMBL11297322 0.78 ACP3 (0.61) ACP3GABBR2GABBR1
SCHEMBL2171701 0.76 ACP3 (0.44) ACP3ALDH1A1ANPEPGABBR2GABBR1
SCHEMBL10894321 0.73 GABBR2 (0.49) ACP3CA2GABBR2GABBR1
SCHEMBL1325439 0.72 CYP2D6 (0.58) CYP2D6ACP3TSHRALDH1A1POLB
SCHEMBL2173719 0.72 ACP3 (0.46) ACP3ANPEPGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US disclosed
EP-2352740-B1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
US-8735477-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-8664418-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylic acid derivatives and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-04 US disclosed
EP-2346885-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP disclosed
EP-2367833-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-08-28 EP disclosed
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 US disclosed
EP-2367833-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-09-28 EP disclosed
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US disclosed
EP-2352740-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
EP-2352738-A1 METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP disclosed
WO-2010051888-A1 METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051893-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051891-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO 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 (5 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-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof ACSL3, ACSL1, ACSL6 CYP2D6 1133/4885ACP3 1914/4885TSHR 909/4885
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, SCO2 CYP2D6 832/4885ACP3 438/4885TSHR 532/4885
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof ACSL3, ACSL6, ACSL1 CYP2D6 1088/4885ACP3 1300/4885TSHR 2065/4885
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof ACSL3, HAO2, AOC3 CYP2D6 1471/4885ACP3 526/4885TSHR 679/4885
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof AOC3, SCO2, AOC2 CYP2D6 1322/4885ACP3 410/4885TSHR 715/4885

“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.