SCHEMBL339802

SCHEMBL339802

CCC(CC(=O)O)P(=O)(O)CCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.35
FOLH1 Q04609 1/20 0.34
GCLC P48506 1/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LAP3 P28838 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL339643 0.86 FOLH1 (0.35) FOLH1GCLCCA2CA12CA1
SCHEMBL339431 0.83 GPR84 (0.39) CA2
SCHEMBL339100 0.82 FOLH1 (0.38) FOLH1CA2CA12CA1MMP1
SCHEMBL339817 0.81 LPAR3 (0.44)
SCHEMBL339376 0.80 LPAR3 (0.47)
SCHEMBL8781578 0.77 FOLH1 (0.45) FOLH1CA2CA12CA1MMP1
SCHEMBL2976107 0.77 FOLH1 (0.40) FOLH1CA2CA12CA1MMP1
SCHEMBL339732 0.77 FOLH1 (0.38) FOLH1GCLCMMP1MMP2LAP3
SCHEMBL340054 0.76 FOLH1 (0.36) PPARDFOLH1CA2SLC22A6CA4
Butane SCHEMBL7715957 0.74 FOLH1 (0.42) FOLH1CA2LAP3CA4

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 PPARD 2100/4885FOLH1 2833/4885GCLC 4596/4885

“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.