SCHEMBL339732

SCHEMBL339732

CCC(CC(=O)O)P(=O)(O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.38
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 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
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
GCLC P48506 1/20 0.31

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
SCHEMBL339100 0.82 FOLH1 (0.38) FOLH1LAP3MMP1MMP2MMP3
SCHEMBL339643 0.78 FOLH1 (0.35) FOLH1LAP3MMP1MMP2GCLC
SCHEMBL338961 0.78 FOLH1 (0.42) FOLH1ANPEPLAP3CACNA2D1CACNB3
SCHEMBL8781578 0.77 FOLH1 (0.45) FOLH1LAP3MMP1MMP2MMP3
SCHEMBL2976107 0.77 FOLH1 (0.40) FOLH1LAP3MMP1MMP2MMP3
SCHEMBL339802 0.77 PPARD (0.35) FOLH1LAP3MMP1MMP2GCLC
SCHEMBL339431 0.76 GPR84 (0.39)
SCHEMBL339801 0.74 SLC22A6 (0.36) FOLH1MMP1MMP2MMP3
SCHEMBL339817 0.74 LPAR3 (0.44)
Butane SCHEMBL7715957 0.74 FOLH1 (0.42) FOLH1LAP3

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 FOLH1 2833/4885ANPEP 1542/4885LAP3 2642/4885

“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.