SCHEMBL2173717

SCHEMBL2173717

C=CP(=O)(CC)OCCCCO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.38
LPAR2 Q9HBW0 6/20 0.38
LPAR1 Q92633 4/20 0.37
CYP3A4 P08684 1/20 0.33
PPARD Q03181 2/20 0.31
ACHE P22303 6/20 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
SCHEMBL2172276 0.86 PPARD (0.34) PPARD
SCHEMBL781121 0.82 CYP3A4 (0.52) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL20377347 0.78 MEN1 (0.35) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL11338824 0.75 LPAR3 (0.46) LPAR3LPAR2LPAR1CYP3A4ACHE
SCHEMBL27860328 0.74 LPAR3 (0.43) LPAR3LPAR2LPAR1CYP3A4PPARD
SCHEMBL780877 0.73
SCHEMBL29161785 0.70 LPAR3 (0.39) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL779537 0.69 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL1359471 0.69 PPARD (0.45) LPAR3LPAR2LPAR1CYP3A4PPARD
SCHEMBL2383744 0.68 TSHR (0.56) LPAR3LPAR2LPAR1CYP3A4PPARD

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-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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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-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-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
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-2352737-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352736-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352739-A2 METHOD FOR PRODUCING MONO-VINYLFUNCTIONALIZED DIALKYLPHOSPHINIC ACID, SALTS AND ESTERS THEREOF, AND THE USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
EP-2346886-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-07-27 EP disclosed
WO-2010051887-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO 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-2010051889-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051886-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051890-A2 METHOD FOR PRODUCING MONO-VINYLFUNCTIONALIZED DIALKYLPHOSPHINIC ACID, SALTS AND ESTERS THEREOF, AND THE 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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 LPAR3 348/4885LPAR2 217/4885LPAR1 283/4885
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 LPAR3 1007/4885LPAR2 575/4885LPAR1 780/4885
US-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 LPAR3 482/4885LPAR2 331/4885LPAR1 380/4885
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof ACSL3, ACSL6, ACSL1 LPAR3 657/4885LPAR2 438/4885LPAR1 596/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 LPAR3 457/4885LPAR2 331/4885LPAR1 342/4885

“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.