SCHEMBL338963

SCHEMBL338963

CC(CP(=O)(O)CCO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.40
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRM3 Q14832 2/20 0.34

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
SCHEMBL2402598 0.84 GRM3 (0.45) GABRR1CYP1A2GRM3
SCHEMBL340077 0.83 GCLC (0.43) GCLCGABRR1CYP1A2
SCHEMBL339782 0.80 GABBR2 (0.47) GCLCGABRR1
SCHEMBL339035 0.79 ACE2 (0.46)
SCHEMBL338990 0.78 GABRR1 (0.38) GCLCGABRR1CYP1A2GRM3
SCHEMBL339921 0.78 GRM3 (0.41) GABRR1CYP1A2GRM3
SCHEMBL1358912 0.78 PPARD (0.38) GCLC
SCHEMBL339762 0.77 ACE2 (0.49)
SCHEMBL2407045 0.77 GCLC (0.37) GCLCGABRR1CYP1A2GRM3
SCHEMBL1304832 0.75 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097753-B2 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT FINANCE (BVI) LIMITED (VG) 2012-01-17 US disclosed
EP-1832594-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts, a method for their manufacture and their application CLARIANT FINANCE BVI LTD (VG) 2011-05-18 EP disclosed
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
EP-1832594-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts, a method for their manufacture and their application CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP 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-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO GCLC 4596/4885GABRR1 506/4885CYP1A2 1093/4885

“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.