SCHEMBL6151371

SCHEMBL6151371

CCS(=O)(=O)c1ccc(C(=O)OC2=CC(=O)CCC2)c(Cl)c1OCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6695149 0.89 TRPM8 (0.35) ALDH1A1HTTMAPK1
SCHEMBL6848981 0.85 PARP15 (0.33) ALDH1A1HTTMAPK1
SCHEMBL6426491 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6151821 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5604918 0.84 MEN1 (0.32) ALDH1A1HTTMAPK1MAPTCYP1A2
SCHEMBL6695155 0.82 ALDH1A1 (0.32) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6426583 0.81 MAPT (0.41) ALDH1A1HTTMAPTCYP1A2CYP3A4
SCHEMBL6152976 0.79 ALDH1A1 (0.35) ALDH1A1HTTMAPK1MAPTCYP1A2
SCHEMBL30230026 0.78 L3MBTL1 (0.35) ALDH1A1MAPTHPGDMEN1LMNA
SCHEMBL6152062 0.77 MAPT (0.43) ALDH1A1HTTMAPK1MAPTCYP1A2

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-6930208-B2 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2005-08-16 US disclosed
EP-1497251-A1 3-KETO OR 3-OXIMOETHER SUBSTITUTED BENZOYLCYCLOHEXANEDIONES Bayer CropScience GmbH (DE) 2005-01-19 EP disclosed
US-20040204320-A1 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2004-10-14 US disclosed
WO-2003084912-A1 3-KETO OR 3-OXIMOETHER SUBSTITUTED BENZOYLCYCLOHEXANEDIONES BAYER CROPSCIENCE GMBH (DE) 2003-10-16 WO 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-20040204320-A1 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones CBR3, CBR1, CYP2E1 ALDH1A1 397/4885HTT 3474/4885MAPK1 1017/4885

“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.