SCHEMBL5228868

SCHEMBL5228868

COc1ccc(C(=O)O)c2c1OCC1CONC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDC25B P30305 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APEX1 P27695 1/20 0.32
PLK1 P53350 1/20 0.32
HPGD P15428 2/20 0.32
APAF1 O14727 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5229060 0.89 KDM4E (0.39) KDM4EALDH1A1HSD17B10LMNAGAA
SCHEMBL7254084 0.81 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10LMNAGAA
SCHEMBL5459056 0.80 KDM4E (0.33) KDM4EALDH1A1HSD17B10LMNAGAA
SCHEMBL5723212 0.78 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5455680 0.77 KDM4E (0.33) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL5722912 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723136 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723139 0.72 KDM4E (0.42) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723699 0.69 LMNA (0.39) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL20480189 0.67 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAGAA

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
US-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 US disclosed
EP-1163240-B1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AG (DE) 2007-03-14 EP disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
EP-1181295-B1 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AG (DE) 2004-02-18 EP 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

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 KDM4E 2750/4885ALDH1A1 4069/4885HSD17B10 2203/4885

“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.