SCHEMBL338652

SCHEMBL338652

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.44
GPR84 Q9NQS5 4/20 0.40
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

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
SCHEMBL340078 0.94 TRPM8 (0.46) TRPM8GPR84LPAR3LPAR2
SCHEMBL338061 0.93 LPAR3 (0.48) TRPM8GPR84LPAR3LPAR2
SCHEMBL339669 0.88 FOLH1 (0.36) TRPM8GPR84FDPS
SCHEMBL340054 0.80 FOLH1 (0.36)
SCHEMBL338953 0.79 FOLH1 (0.39) GPR84
SCHEMBL2487476 0.79 TRPM8 (0.61) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL339431 0.79 GPR84 (0.39) TRPM8GPR84GABBR2GABRR1GABBR1
SCHEMBL29240388 0.78 TRPM8 (0.59) TRPM8GABBR2GABRR1GABBR1LPAR3
SCHEMBL1315919 0.76 TRPM8 (0.42) TRPM8GABBR2GABRR1GABBR1LPAR3
Butane SCHEMBL7718949 0.75 FOLH1 (0.43) GPR84FDPS

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 4341/4885GPR84 1397/4885GABBR2 325/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO TRPM8 4207/4885GPR84 487/4885GABBR2 157/4885

“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.