SCHEMBL1313617

SCHEMBL1313617

CCCCOP(=O)(CC)CCOCC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LPAR3 Q9UBY5 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 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
SCHEMBL2375833 0.90 CYP3A4 (0.53) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL575735 0.84 CYP3A4 (0.56) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL5485187 0.84 CYP3A4 (0.56) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL28226198 0.82 CYP3A4 (0.54) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL575803 0.81 CYP3A4 (0.64) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
Ether SCHEMBL28514521 0.80 CYP3A4 (0.52) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL27845160 0.80 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL16605635 0.80 CYP3A4 (0.52) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL2171452 0.78 CYP3A4 (0.50) CYP3A4TSHRHPGDSMN1; SMN2LPAR3
SCHEMBL1359596 0.78 CYP3A4 (0.50) CYP3A4TSHRHPGDSMN1; SMN2LPAR3

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-8987489-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ether and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
EP-2373669-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-09-11 EP disclosed
US-20110275744-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ether and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-10 US disclosed
EP-2373669-A1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF Clariant International Ltd. (CH) 2011-10-12 EP disclosed
WO-2010063344-A1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ETHER AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-10 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-20110275744-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ether and the Use Thereof SCO2, HAO2, ACSL3 CYP3A4 1120/4885TSHR 1785/4885HPGD 2467/4885

“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.