SCHEMBL2392212

SCHEMBL2392212

CC=CP(=O)(CC)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
LPAR3 Q9UBY5 5/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2392211 1.00 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2404432 0.80 PPARD (0.33)
SCHEMBL2404434 0.80 PPARD (0.33)
SCHEMBL11489186 0.79 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL4812490 0.79 TSHR (0.44) TSHR
SCHEMBL781121 0.78 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL9081299 0.70 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575803 0.69 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575080 0.69 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL779537 0.68 CYP3A4 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772519-B2 Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-07-08 US disclosed
EP-2367835-B1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2367835-A1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF Clariant International Ltd. (CH) 2011-09-28 EP 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-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
WO-2010054722-A1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-20 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 (2 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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 CYP3A4 2557/4885LPAR3 482/4885LPAR1 380/4885
US-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof AGL, ACSL3, ACSL6 CYP3A4 3428/4885LPAR3 73/4885LPAR1 76/4885

“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.