SCHEMBL340010

SCHEMBL340010

CCOP(=O)(Cc1ccccc1)CC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
FOLH1 Q04609 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CETP P11597 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1I2 O75469 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 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
SCHEMBL563856 0.81 NPSR1 (0.50) POLBCETPNPSR1NR1I2HPGD
SCHEMBL7617120 0.80 FOLH1 (0.63) FOLH1
Hydrogen Peroxide SCHEMBL8609520 0.79 POLB (0.46) POLBCETPNPSR1NR1I2HPGD
SCHEMBL8976576 0.78 POLB (0.44) POLBMAPTMAPK1GAANPSR1
SCHEMBL8751389 0.78 POLB (0.44) POLBMAPTMAPK1GAANPSR1
SCHEMBL2994649 0.77 TSHR (0.37) POLBMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL5417880 0.77 NPSR1 (0.47) POLBNPSR1NR1I2HPGDMEN1
SCHEMBL7609685 0.76 MMP1 (0.49) MEN1CYP1A2KMT2A
SCHEMBL340397 0.76 CETP (0.43) POLBMAPK1GAAFOLH1CETP
SCHEMBL28053075 0.76 AOX1 (0.51) POLBMAPTMAPK1GAANPSR1

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 2 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
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 (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 POLB 1420/4885MAPT 4519/4885MAPK1 2098/4885

“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.