SCHEMBL339393

SCHEMBL339393

CCC(CC(=O)O)P(=O)(O)C(CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.42
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
SRC P12931 1/20 0.38
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL338739 0.84 FFAR1 (0.43) ACP3GABBR2GABBR1FFAR1LMNA
SCHEMBL2172115 0.78 FFAR1 (0.43) ACP3GABBR2GABBR1FFAR1LMNA
SCHEMBL339717 0.76 ACP3 (0.44) ACP3LMNAPOLBSRC
SCHEMBL3817936 0.76 ACP3 (0.63) ACP3LMNAPOLBSRC
SCHEMBL2171520 0.76 ACP3 (0.46) ACP3GABBR2GABBR1FFAR1LMNA
SCHEMBL2173719 0.76 ACP3 (0.46) ACP3GABBR2GABBR1FFAR1SRC
SCHEMBL11297322 0.74 ACP3 (0.61) ACP3GABBR2GABBR1SRCCYP2C19
SCHEMBL2171241 0.73 ACP3 (0.44) ACP3GABBR2GABBR1FFAR1SRC
SCHEMBL340396 0.73 ACP3 (0.44) ACP3LMNAPOLBSRCCYP2C19
Hydrogen Peroxide SCHEMBL8609521 0.73 ACP3 (0.50) ACP3LMNAPOLBSRC

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 ACP3 3182/4885GABBR2 157/4885GABBR1 288/4885

“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.