SCHEMBL5229060

SCHEMBL5229060

COC(=O)c1ccc(OC)c2c1C1NOCC1CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
PLK1 P53350 1/20 0.34
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 2/20 0.31
FUCA1 P04066 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5228868 0.89 KDM4E (0.40) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL7254084 0.80 ALDH1A1 (0.33) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL5459056 0.79 KDM4E (0.33) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL5455680 0.76 KDM4E (0.33) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL4467144 0.68 KDM4E (0.73) KDM4EALDH1A1LMNAHSD17B10GAA
SCHEMBL5683830 0.68 KDM4E (0.59) KDM4EALDH1A1LMNAHSD17B10GAA
SCHEMBL5723212 0.66 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL21955216 0.66 KDM4E (0.35) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL20480480 0.66 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL858141 0.66 KDM4E (0.65) KDM4EALDH1A1LMNAHSD17B10GAA

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 4069/4885LMNA 3722/4885

“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.