SCHEMBL340397

SCHEMBL340397

CCOP(=O)(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.43
FOLH1 Q04609 1/20 0.42
KEAP1 Q14145 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
NR1I2 O75469 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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 0.83 NPSR1 (0.50) CETPNPSR1POLBNR1I2HPGD
SCHEMBL10890173 0.82 MAPT (0.51) CETPKEAP1HDAC3MAPK1ADRA1A
Hydrogen Peroxide SCHEMBL8609520 0.82 POLB (0.46) CETPNPSR1POLBNR1I2HDAC1
SCHEMBL8347665 0.81 CETP (0.49) CETPNPSR1
SCHEMBL5417880 0.80 NPSR1 (0.47) NPSR1POLBNR1I2HDAC1HPGD
SCHEMBL7617120 0.79 FOLH1 (0.63) FOLH1
SCHEMBL23710506 0.78 CETP (0.54) CETPFOLH1KEAP1HDAC3MAPK1
SCHEMBL7185151 0.76 RARB (0.47) CETPHDAC1HDAC8
SCHEMBL340010 0.76 POLB (0.42) CETPFOLH1NPSR1POLBNR1I2
SCHEMBL7376256 0.75 CETP (0.44) CETPKEAP1NPSR1POLBSMN1; SMN2

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 CETP 3311/4885FOLH1 2833/4885KEAP1 3520/4885

“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.