SCHEMBL2396483

SCHEMBL2396483

CCP(=O)(O)CCCO.[AlH3]

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.60
GABBR1 Q9UBS5 2/20 0.60
GABRR1 P24046 1/20 0.41
PPARD Q03181 2/20 0.38
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TYMS P04818 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL2171835 0.97
SCHEMBL2243521 0.95 GABBR2 (0.60) GABBR2GABBR1GABRR1PPARDLPAR3
SCHEMBL11429786 0.84 GABBR2 (0.71) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL4772201 0.82 GABBR2 (0.62) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL28885310 0.82 GABBR2 (0.62) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL1359225 0.81
SCHEMBL11593686 0.81 GABBR2 (0.68) GABBR2GABBR1GABRR1LPAR3LPAR2
1,4-Butanediol SCHEMBL5492109 0.81 GABBR2 (0.48) GABBR2GABBR1GABRR1PPARDLPAR3
1,3-Propanediol SCHEMBL5491466 0.81 GABBR2 (0.48) GABBR2GABBR1GABRR1PPARDLPAR3
SCHEMBL25387715 0.80 GABBR2 (0.60) GABBR2GABBR1GABRR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604108-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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 (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-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof HAO2, AOC3, AOC2 GABBR2 2979/4885GABBR1 3462/4885GABRR1 3492/4885

“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.