SCHEMBL2485153

SCHEMBL2485153

CCCCOP(=O)(CC)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 5/20 0.42
LPAR1 Q92633 3/20 0.42
LPAR2 Q9HBW0 3/20 0.42
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CETP P11597 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2173357 0.81 CYP3A4 (0.45) CYP3A4TSHRALDH1A1
SCHEMBL1313368 0.81 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575803 0.81 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2293268 0.80 CYP3A4 (0.44) CYP3A4TSHRALDH1A1
SCHEMBL9067973 0.80 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL3469611 0.79 TSHR (0.42) TSHR
Benzene SCHEMBL28319700 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2522266 0.78 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL16045398 0.77 NAAA (0.52) LPAR3LPAR1LPAR2
SCHEMBL2515597 0.76 CYP3A4 (0.40) CYP3A4LPAR3LPAR1LPAR2TSHR

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 5 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
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-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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-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 3231/4885LPAR3 120/4885LPAR1 108/4885

“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.