SCHEMBL340396

SCHEMBL340396

CCC(c1ccccc1)P(=O)(O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.44
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
SRC P12931 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Hydrogen Peroxide SCHEMBL8609521 0.81 ACP3 (0.50) ACP3CYP2D6LMNASRCPOLB
SCHEMBL31315617 0.81 ACP3 (0.50) ACP3CYP2D6LMNASRCPOLB
SCHEMBL5053055 0.80 FOLH1 (0.55)
SCHEMBL12858790 0.78 CYP2D6 (0.65) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL2171241 0.77 ACP3 (0.44) ACP3CYP2D6SRC
SCHEMBL3817936 0.77 ACP3 (0.63) ACP3LMNASRCPOLB
SCHEMBL340009 0.76 APAF1 (0.44) ACP3LMNA
SCHEMBL5051130 0.76 ACP3 (0.42) ACP3ALDH1A1CYP2C19LMNA
SCHEMBL2170906 0.75 TSHR (0.43) ACP3TSHRNPSR1
SCHEMBL5054260 0.74 GGH (0.60) LMNA

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 3182/4885CYP2D6 961/4885ALDH1A1 2898/4885

“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.