SCHEMBL9974266

SCHEMBL9974266

C=C(C)OC(=O)CN(C)C(=O)COC(=O)/C=C/C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2609708 0.82 CA12 (0.47) HCAR2KEAP1NFE2L2ALDH1A1POLB
SCHEMBL19701744 0.82 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL196620 0.79 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL2609719 0.79 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL2609707 0.79 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL15490807 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL2616187 0.74 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2ALDH1A1POLB
SCHEMBL2609697 0.73 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL4456360 0.71 HCAR2 (0.54) HCAR2KEAP1NFE2L2ALDH1A1POLB
SCHEMBL4456361 0.71 HCAR2 (0.54) HCAR2KEAP1NFE2L2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885KEAP1 2571/4885NFE2L2 2133/4885

“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.