SCHEMBL339954

SCHEMBL339954

CCCP(=O)(O)C(C)C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.33
▸ LAP3 P28838 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GCLC P48506 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
SCHEMBL338997 0.88 TRPM8 (0.39) —
SCHEMBL339910 0.86 LPAR3 (0.45) —
SCHEMBL339477 0.85 LPAR3 (0.48) —
SCHEMBL339956 0.83 PPARD (0.33) ANPEPLAP3
SCHEMBL338687 0.83 ANPEP (0.35) ANPEPLAP3
SCHEMBL1313868 0.78 CHRM1 (0.36) ANPEPLAP3CHRM1AKR1A1CHRM3
SCHEMBL339854 0.77 LAP3 (0.42) ANPEPLAP3
SCHEMBL1035925 0.74 ACHE (0.34) —
SCHEMBL8048482 0.74 FOLH1 (0.42) —
SCHEMBL1038606 0.74 MAPT (0.40) —

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 ANPEP 3632/4885LAP3 4306/4885CHRM1 231/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO ANPEP 1542/4885LAP3 2642/4885CHRM1 30/4885

“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.

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