SCHEMBL2415290

SCHEMBL2415290

c1ccc(OP(Oc2ccccc2)c2ccccc2-c2ccccc2P(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.35
KCNA3 P22001 1/20 0.32
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TLR9 Q9NR96 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GAPDH P04406 1/20 0.31
KCNH2 Q12809 1/20 0.30
NR1H2 P55055 1/20 0.30
BAX Q07812 1/20 0.30
MAOA P21397 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
SCHEMBL2172863 0.77 LTA4H (0.40) LTA4HTSHRCA4NR1H2BAX
SCHEMBL4452080 0.77 TSHR (0.38) LTA4HTSHRCA4KCNA3
SCHEMBL20258645 0.74 CYP3A4 (0.38)
SCHEMBL8348469 0.74 KCNA3 (0.41) TSHRKCNA3KCNH2
SCHEMBL1726433 0.73 GABRA1 (0.34) LTA4HCA4
SCHEMBL195903 0.72 LTA4H (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4460772 0.70 PPARA (0.35) LTA4HCA4
SCHEMBL11402161 0.70 NPC1 (0.36) LTA4HTSHRCA4
SCHEMBL6800358 0.68 LTA4H (0.39) LTA4HTSHRCA4KCNA3NSD2
SCHEMBL11704235 0.68 TSHR (0.38) LTA4HTSHRCA4KCNA3

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 15 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 disclosed
EP-2379572-B1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INT LTD (CH) 2015-12-23 EP 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-8604108-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
EP-2379572-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP 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-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
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized 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
WO-2010069420-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed
US-4829110-A OXIDATION RESISTANCE TO BLEACHES AND DETERGENTS SOLVAY & CIE (SOCIETE ANONYME) (BE) 1989-05-09 US disclosed
US-4670493-A OXIDATION RESISTANCE; PHENOLIC ANTIOXIDANT, PHOSPHONITE, SULF UR-CONTAINING STABILIZER SOLVAY & CIE (SOCIETE ANONYME) (BE) 1987-06-02 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 (7 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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 LTA4H 448/4885TSHR 1746/4885CA4 174/4885
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 LTA4H 474/4885TSHR 909/4885CA4 147/4885
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof HAO2, AOC3, AOC2 LTA4H 478/4885TSHR 965/4885CA4 409/4885
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, DAO LTA4H 1221/4885TSHR 577/4885CA4 255/4885
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 LTA4H 813/4885TSHR 83/4885CA4 512/4885
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof ACSL3, ACSL6, ACSL1 LTA4H 494/4885TSHR 2065/4885CA4 151/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 LTA4H 969/4885TSHR 752/4885CA4 230/4885

“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.