SCHEMBL339035

SCHEMBL339035

CCCCCP(=O)(O)CC(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
TRPM8 Q7Z2W7 5/20 0.46
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
CETP P11597 1/20 0.42
FDPS P14324 1/20 0.42

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
SCHEMBL339762 0.98 ACE2 (0.49) ACE2TRPM8LPAR3LPAR2CETP
SCHEMBL339782 0.94 GABBR2 (0.47) ACE2TRPM8FDPS
SCHEMBL340077 0.86 GCLC (0.43) ACE2FDPS
Hydrochloric Acid SCHEMBL11590513 0.81 LPAR3 (0.46) TRPM8LPAR3LPAR2FDPS
SCHEMBL2402598 0.80 GRM3 (0.45)
SCHEMBL338963 0.79 GCLC (0.40)
SCHEMBL338990 0.78 GABRR1 (0.38) ACE2FDPS
SCHEMBL2407045 0.76 GCLC (0.37) ACE2FDPS
SCHEMBL7821202 0.75 LPAR3 (0.62) ACE2LPAR3LPAR2FDPS
SCHEMBL37982 0.75 LPAR3 (0.67) TRPM8LPAR3LPAR2CETPFDPS

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 ACE2 4803/4885TRPM8 4207/4885LPAR3 640/4885

“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.