SCHEMBL5604518

SCHEMBL5604518

CCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1OCCCCl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8848046 0.90 ALDH1A1 (0.44) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL9274041 0.88 CYP1A2 (0.34) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL6152976 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL8848531 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL1963696 0.86 ALDH1A1 (0.34) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL6058001 0.85 SCN9A (0.35) ALDH1A1MAPK1HTT
SCHEMBL3255597 0.83 NPC1 (0.35) ALDH1A1MAPK1HTT
SCHEMBL5604641 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL5604331 0.82 HPD (0.34) ALDH1A1MAPK1HTTCYP1A2CYP3A4
SCHEMBL8092645 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1HTTCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379497-B1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2007-01-17 EP claimed
US-6768025-B2 FOR CONTROLLING BROADLEAF AND GRASS WEEDS IN CROPS AVENTIS CROPSCIENCE GMBH (DE) 2004-07-27 US claimed
EP-1379497-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2004-01-14 EP claimed
US-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2003-03-27 US claimed
WO-2002081434-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO claimed
EP-1379497-B1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2007-01-17 EP disclosed
US-6768025-B2 FOR CONTROLLING BROADLEAF AND GRASS WEEDS IN CROPS AVENTIS CROPSCIENCE GMBH (DE) 2004-07-27 US disclosed
EP-1379497-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2004-01-14 EP disclosed
US-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2003-03-27 US disclosed
WO-2002081434-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-17 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-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides DDT, CBR3, CBR1 ALDH1A1 28/4885MAPK1 3156/4885HTT 1585/4885

“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.