SCHEMBL19701744

SCHEMBL19701744

COC(=O)/C=C/C(=O)OCC(=O)N(C)CC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 5/20 0.35
MDM4 O15151 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT3 P40763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
GFPT1 Q06210 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
SCHEMBL196620 0.87 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609708 0.84 CA12 (0.47) HCAR2KEAP1NFE2L2ALDH1A1POLB
SCHEMBL15490807 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL9974266 0.82 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609697 0.80 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609707 0.80 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609719 0.80 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2627702 0.78 HCAR2 (0.59) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2113304 0.77 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL23241267 0.74 ALDH1A1 (0.38) HCAR2KEAP1NFE2L2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000770-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC (US) 2018-01-04 US disclosed
US-20170368013-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-28 US disclosed
US-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 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 (3 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-20170368013-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885

“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.