SCHEMBL5450432

SCHEMBL5450432

COC(=O)c1ccc(Cl)c2c1SCCC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
USP2 O75604 1/20 0.37
NR4A2 P43354 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SLC6A3 Q01959 7/20 0.35
SLC6A2 P23975 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SERPINH1 P50454 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC6A4 P31645 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NQO2 P16083 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5228012 0.78 CUL4A (0.37) MEN1KMT2AKDM4EGLAGAA
SCHEMBL8346491 0.77 VHL (0.41) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL91636 0.74 CES1 (0.38) KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL9607632 0.74 VHL (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
Dimethylamine SCHEMBL5459104 0.74 USP2 (0.36) ABL1USP2NR4A2MEN1KMT2A
SCHEMBL5956828 0.73 KDM4E (0.41) KDM4EGLAGAAALDH1A1MAPT
SCHEMBL7489687 0.73 VHL (0.32) KDM4E
SCHEMBL7843121 0.72 TSHR (0.39) NR4A2MEN1KMT2AKDM4ESERPINH1
SCHEMBL5459098 0.71 KMT2A (0.35) ABL1USP2NR4A2MEN1KMT2A
SCHEMBL5459096 0.71 KMT2A (0.35) ABL1USP2NR4A2MEN1KMT2A

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 ABL1 1344/4885USP2 2322/4885NR4A2 140/4885

“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.