SCHEMBL338953

SCHEMBL338953

CCP(=O)(O)C(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
MMP1 P03956 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
SCHEMBL339669 0.83 FOLH1 (0.36) FOLH1GPR84
SCHEMBL338961 0.80 FOLH1 (0.42) FOLH1SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL338652 0.79 TRPM8 (0.44) GPR84
SCHEMBL2992990 0.79 SLC22A6 (0.36) FOLH1SLC22A6CACNA2D1TDP1CACNB3
SCHEMBL340054 0.78 FOLH1 (0.36) FOLH1SLC22A6CACNA2D1TDP1CACNB3
Hydrochloric Acid SCHEMBL11592723 0.78 MMP1 (0.31) TSHRMMP1MMP2MMP3
SCHEMBL2990302 0.78 FOLH1 (0.43) FOLH1SLC22A6CACNA2D1TDP1CACNB3
SCHEMBL8646056 0.78 FOLH1 (0.48) FOLH1SLC22A6CACNA2D1TDP1CACNB3
SCHEMBL340078 0.78 TRPM8 (0.46) GPR84
Alcohol SCHEMBL1487744 0.77 FOLH1 (0.43) FOLH1SLC22A6CACNA2D1TDP1CACNB3

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 7 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
EP-1832595-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts and other components, a method for their manufacture and their application CLARIANT FINANCE BVI LTD (VG) 2009-07-15 EP claimed
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 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 FOLH1 4677/4885SLC22A6 1731/4885CACNA2D1 4010/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO FOLH1 2833/4885SLC22A6 1553/4885CACNA2D1 4108/4885

“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.