SCHEMBL5459020

SCHEMBL5459020

COC(=O)c1ccc(OC)c(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.50
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL1162126 0.83 CA1 (0.49) ERN1MAPTCA12CA1CA2
SCHEMBL8138246 0.82 GAA (0.43) ERN1MAPTCA12CA1CA2
SCHEMBL856059 0.80 MAPT (0.59) MAPTTDP1CA12CA1CA2
SCHEMBL25319897 0.80 ABL1 (0.42) ERN1MAPTTDP1CA12CA1
SCHEMBL2750347 0.80 ERN1 (0.72) ERN1MAPTTDP1ALDH1A1HPGD
SCHEMBL26247344 0.78 MAPT (0.50) ERN1MAPTCA12CA1CA2
SCHEMBL31690222 0.78 MAPT (0.50) ERN1MAPTCA12CA1CA2
SCHEMBL1434290 0.77 MAPT (0.71) MAPTTDP1CA12CA1CA2
SCHEMBL1553565 0.76 KDM4E (0.51) MAPTTDP1CA12CA1CA2
SCHEMBL13959837 0.76 GAA (0.46) MAPTTDP1CA12CA1CA2

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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 US disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-6583089-B1 Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts BASF AKTIENGESELLSCHAFT (DE) 2003-06-24 US disclosed
CN-1358186-A Tricyclic benzoylcylohexanedione derivatives BASF AG (DE) 2002-07-10 CN 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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES CBR3, CBR1, KAT8 ERN1 1020/4885MAPT 4772/4885TDP1 3614/4885

“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.