SCHEMBL338997

SCHEMBL338997

CCCCP(=O)(O)C(C)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
GABBR2 O75899 1/20 0.38
GABRR1 P24046 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
FDPS P14324 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL339910 0.94 LPAR3 (0.45) TRPM8LPAR3LPAR2
SCHEMBL339477 0.93 LPAR3 (0.48) TRPM8LPAR3LPAR2
SCHEMBL339954 0.88 ANPEP (0.33)
SCHEMBL339956 0.80 PPARD (0.33)
SCHEMBL1315919 0.80 TRPM8 (0.42) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL338687 0.79 ANPEP (0.35)
SCHEMBL7609969 0.76 FOLH1 (0.40)
SCHEMBL17626604 0.74 TRPM8 (0.50) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL4342521 0.74 CYP3A4 (0.41) TRPM8LPAR3LPAR2
SCHEMBL339854 0.74 LAP3 (0.42)

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
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 claimed
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 claimed
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
US-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation DBH, HBB, ALKBH3 TRPM8 4341/4885GABBR2 325/4885GABRR1 638/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO TRPM8 4207/4885GABBR2 157/4885GABRR1 506/4885

“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.