SCHEMBL2375833

SCHEMBL2375833

CCCCOCCP(=O)(CC)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
LPAR3 Q9UBY5 4/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39

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
SCHEMBL1313617 0.90 CYP3A4 (0.48) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL5485187 0.85 CYP3A4 (0.56) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL575735 0.85 CYP3A4 (0.56) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL28226198 0.83 CYP3A4 (0.54) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL575803 0.83 CYP3A4 (0.64) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL27845160 0.82 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL1359596 0.80 CYP3A4 (0.50) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL27973437 0.80 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL2171452 0.80 CYP3A4 (0.50) CYP3A4TSHRSMN1; SMN2HPGDLPAR3
SCHEMBL2354103 0.78 CYP3A4 (0.48) CYP3A4TSHRSMN1; SMN2HPGDLPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8735476-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 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

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-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof SCO2, HAO2, DAO CYP3A4 1598/4885TSHR 1600/4885SMN1; SMN2 4349/4885
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 1647/4885TSHR 1672/4885SMN1; SMN2 4122/4885

“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.