SCHEMBL413447

SCHEMBL413447

CC(C)(C)P(c1cccc(P(C(C)(C)C)C(C)(C)C)c1)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
ACHE P22303 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29589601 0.87 ACHE (0.50) ACHECYP3A4TDP1
SCHEMBL16694527 0.87 ACHE (0.50) ACHECYP3A4TDP1
SCHEMBL29669961 0.85 ACHE (0.48) ACHECYP3A4TDP1
SCHEMBL16694228 0.84 HDAC8 (0.42) ESR1ESR2ACHECYP3A4TDP1
SCHEMBL29590012 0.84 ACHE (0.43) ESR2ACHECYP3A4
SCHEMBL29589682 0.84 HDAC8 (0.42) ESR1ESR2ACHECYP3A4TDP1
SCHEMBL16694227 0.84 ACHE (0.43) ESR2ACHECYP3A4
SCHEMBL29670084 0.82 ACHE (0.41) ESR2ACHECYP3A4
SCHEMBL29670052 0.82 HDAC8 (0.41) ESR1ESR2ACHECYP3A4TDP1
SCHEMBL29527590 0.82 MAOA (0.40) CYP3A4TDP1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof CLARIANT PLASTICS & COATINGS LTD (CH) 2017-09-21 US disclosed
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-9181487-B2 Process for preparing ethylenedialkylphosphinic acids, esters and salts by means of acetylene and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-11-10 US disclosed
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
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-9068119-B2 Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carobxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
US-9018413-B2 Method for the production of alkylphosphonic acids, esters, and salts by oxidizing alkylphosphonous acids, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-04-28 US disclosed
EP-2552928-B1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST. CHROMAFORA AB (SE) 2015-04-15 EP 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-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US 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-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
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
US-20100190901-A1 Alkylphosphonous Acids, Salts and Esters, Methods for the Production Thereof, and Use of the Same CLARIANT FINANCE (BVI) LIMITED (VG) 2010-07-29 US disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 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 (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-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof ENPP1, ENPP3, FADS2 ESR1 932/4885ESR2 1217/4885ACHE 1301/4885
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 ESR1 464/4885ESR2 1186/4885ACHE 2604/4885
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof HAO2, ALOX5, AOC3 ESR1 985/4885ESR2 1696/4885ACHE 3533/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 ESR1 1851/4885ESR2 2321/4885ACHE 2856/4885
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 ESR1 852/4885ESR2 1546/4885ACHE 3526/4885

“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.