SCHEMBL1359596

SCHEMBL1359596

CCCCOP(=O)(CC)CCO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
PPARD Q03181 2/20 0.45
LPAR3 Q9UBY5 6/20 0.44
LPAR2 Q9HBW0 4/20 0.44
LPAR1 Q92633 3/20 0.44
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2171452 0.92 CYP3A4 (0.50) CYP3A4PPARDLPAR3LPAR2LPAR1
SCHEMBL1359471 0.88 PPARD (0.45) CYP3A4PPARDLPAR3LPAR2LPAR1
SCHEMBL5485187 0.85 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1358427 0.85 PPARD (0.50) CYP3A4PPARDLPAR3LPAR2LPAR1
SCHEMBL575735 0.85 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
Ammonia Solution, Strong SCHEMBL7040273 0.83 PPARD (0.48) PPARDTSHR
SCHEMBL28226198 0.83 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL2522266 0.83 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL575803 0.83 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL27845160 0.82 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1

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-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-8987490-B2 Method for the production of monohydroxy-functionalized dialkylphosphinic acids, esters, and salts using ethylene oxide, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
EP-2379574-B1 METHOD FOR THE PRODUCTION OF MONOHYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS USING ETHYLENE OXIDE, AND 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-2373668-B1 METHOD FOR PRODUCING MONO-HYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ESTER OF A CARBOXYLIC ACID AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-09-11 EP disclosed
US-20110281983-A1 Method for the Production of Monohydroxy-Functionalized Dialkylphosphinic Acids, Esters, and Salts Using Ethylene Oxide, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-17 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-2379574-A1 METHOD FOR THE PRODUCTION OF MONOHYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS USING ETHYLENE OXIDE, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
EP-2373668-A1 METHOD FOR PRODUCING MONO-HYDROXY-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-20110245385-A1 Process for Preparing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts by Means of Alkylene Oxides and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-06 US disclosed
US-20110237722-A1 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) 2011-09-29 US disclosed
WO-2010069417-A1 METHOD FOR THE PRODUCTION OF MONOHYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS USING ETHYLENE OXIDE, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO 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-2010063343-A1 METHOD FOR PRODUCING MONO-HYDROXY-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110237722-A1 Method for Producing Mono-Hydroxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carobxylic Acid and The Use Thereof HAO2, HACL2, HAO1 CYP3A4 1647/4885PPARD 3278/4885LPAR3 937/4885
US-20110245385-A1 Process for Preparing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts by Means of Alkylene Oxides and Use Thereof AGL, ACSL3, MGLL CYP3A4 3231/4885PPARD 4423/4885LPAR3 120/4885
US-20110281983-A1 Method for the Production of Monohydroxy-Functionalized Dialkylphosphinic Acids, Esters, and Salts Using Ethylene Oxide, and Use Thereof ACSL3, ACSL1, HACL2 CYP3A4 2721/4885PPARD 3593/4885LPAR3 123/4885

“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.