SCHEMBL6904037

SCHEMBL6904037

CCS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1OCC(F)(F)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
DDR1 Q08345 5/20 0.35

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
SCHEMBL5603994 0.89 CYP1A2 (0.39) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL28573033 0.89 PDK1 (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL5604918 0.84 MEN1 (0.32) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5604331 0.81 HPD (0.34) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL6426583 0.79 MAPT (0.41) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL28557666 0.76 CYP1A2 (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL6693760 0.75 MEN1 (0.40) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL6852251 0.74 CNR1 (0.40) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5101279 0.73 MAPT (0.47) PDK2PDK4CYP1A2CYP3A4CYP2D6
SCHEMBL5105883 0.72 ALDH1A1 (0.46) CYP1A2CYP3A4MAPTCYP2C9HPGD

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-6768025-B2 FOR CONTROLLING BROADLEAF AND GRASS WEEDS IN CROPS AVENTIS CROPSCIENCE GMBH (DE) 2004-07-27 US disclosed
US-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2003-03-27 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-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides DDT, CBR3, CBR1 PDK1 2286/4885PDK2 1299/4885PDK3 1304/4885

“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.