SCHEMBL6426583

SCHEMBL6426583

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 1/20 0.36
TSHR P16473 1/20 0.36
IKBKB O14920 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL6152062 0.87 MAPT (0.43) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6693760 0.85 MEN1 (0.40) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5105883 0.83 ALDH1A1 (0.46) MAPTHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL28573033 0.82 PDK1 (0.41) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6151371 0.81 ALDH1A1 (0.33) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6428039 0.81 ALDH1A1 (0.42) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6428042 0.81 ALDH1A1 (0.42) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6852251 0.80 CNR1 (0.40) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6904037 0.79 PDK1 (0.38) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5101279 0.78 MAPT (0.47) MAPTHPGDCYP1A2CYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
US-6930208-B2 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2005-08-16 US disclosed
EP-1547577-A1 ANTIAGING COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
US-20040204320-A1 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2004-10-14 US disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 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 MAPT 3893/4885HPGD 677/4885CYP1A2 10/4885

“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.