SCHEMBL2171452

SCHEMBL2171452

CCCCOP(=O)(CC)CCCO

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
LPAR3 Q9UBY5 5/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR2 Q9HBW0 3/20 0.44
PPARD Q03181 2/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 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
SCHEMBL1359596 0.92 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2PPARD
SCHEMBL575735 0.90 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL28226198 0.88 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2170863 0.88 PPARD (0.43) CYP3A4LPAR3LPAR1LPAR2PPARD
SCHEMBL27845160 0.86 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL5485187 0.85 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL1359471 0.84 PPARD (0.45) CYP3A4LPAR3LPAR1LPAR2PPARD
SCHEMBL27973437 0.84 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL2522266 0.83 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL28534817 0.83 PPARD (0.41) CYP3A4LPAR3LPAR1LPAR2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614267-B2 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) 2013-12-24 US disclosed
EP-2352735-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2367834-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACROLEINS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP 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-2367834-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-09-28 EP 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-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-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
EP-2352735-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF Clariant International Ltd. (CH) 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-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051885-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACROLEINS 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

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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 CYP3A4 2061/4885LPAR3 348/4885LPAR1 283/4885
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 CYP3A4 1643/4885LPAR3 328/4885LPAR1 428/4885
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 CYP3A4 1965/4885LPAR3 210/4885LPAR1 184/4885

“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.