SCHEMBL2406288

SCHEMBL2406288

CC=CP(=O)(O)CCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.43
GABRR1 P24046 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
FDPS P14324 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
SMPD1 P17405 3/20 0.35
S1PR2 O95136 3/20 0.35
S1PR4 O95977 3/20 0.35
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL2406287 1.00 GABBR2 (0.43) GABBR2GABRR1GABBR1LPAR3LPAR2
SCHEMBL2405706 0.86
SCHEMBL2405708 0.86
SCHEMBL31590473 0.80 GABBR2 (0.42) GABBR2GABRR1GABBR1LPAR3LPAR2
SCHEMBL31590834 0.78 GABBR2 (0.41) GABBR2GABRR1GABBR1LPAR3LPAR2
SCHEMBL31590760 0.78 LPAR3 (0.46) GABBR2GABRR1GABBR1LPAR3LPAR2
SCHEMBL2405336 0.75
SCHEMBL2405338 0.75
SCHEMBL31590346 0.75 LPAR3 (0.49) LPAR3LPAR2
SCHEMBL2317086 0.74

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-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-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 (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-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof AGL, ACSL3, ACSL6 GABBR2 2566/4885GABRR1 2977/4885GABBR1 3376/4885

“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.