SCHEMBL2407045

SCHEMBL2407045

CCP(=O)(O)CC(C)C(=O)O.[Ti]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.37
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
GRM3 Q14832 2/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
FDPS P14324 1/20 0.33

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
SCHEMBL338990 0.98 GABRR1 (0.38) GCLCGABRR1CYP1A2GRM3GABBR2
SCHEMBL2402598 0.86 GRM3 (0.45) GABRR1CYP1A2GRM3ANPEPLAP3
SCHEMBL340077 0.81 GCLC (0.43) GCLCGABRR1CYP1A2ACE2FDPS
SCHEMBL339921 0.80 GRM3 (0.41) GABRR1CYP1A2GRM3ANPEPLAP3
SCHEMBL2403991 0.78 MMP1 (0.37) GABBR2GABBR1FDPS
SCHEMBL339782 0.78 GABBR2 (0.47) GCLCGABRR1GABBR2GABBR1ACE2
SCHEMBL2992987 0.77 GABRR1 (0.39) GABRR1CYP1A2ACE2ANPEPLAP3
Hydrochloric Acid SCHEMBL11700096 0.77 GABBR2 (0.33) GABBR2GABBR1FDPS
SCHEMBL338963 0.77 GCLC (0.40) GCLCGABRR1CYP1A2GRM3
SCHEMBL1304832 0.77 FOLH1 (0.48) GABRR1CYP1A2

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-8735477-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, SCO2 GCLC 2510/4885GABRR1 3289/4885CYP1A2 773/4885

“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.