SCHEMBL14070867

SCHEMBL14070867

COC(=O)/C=C/C(=O)ONCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.54
NFE2L2 Q16236 2/20 0.54
KEAP1 Q14145 1/20 0.54
GFPT1 Q06210 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL15264231 0.75 GFPT1 (0.56) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL15264235 0.75 GFPT1 (0.56) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL10337138 0.74 TSHR (0.37) ALDH1A1MAPTTDP1EGLN1ALOX15
Dimethyl Fumarate SCHEMBL28128958 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
Dimethyl Fumarate SCHEMBL41836 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
Dimethyl Fumarate SCHEMBL11668350 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
Dimethyl Maleate SCHEMBL27720952 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
Dimethyl Maleate SCHEMBL75864 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
Dimethyl Fumarate SCHEMBL41835 0.74 NFE2L2 (1.00) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL19222532 0.73 HCAR2 (0.52) HCAR2NFE2L2KEAP1GFPT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 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-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH HCAR2 42/4885NFE2L2 215/4885KEAP1 426/4885

“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.