SCHEMBL18364154

SCHEMBL18364154

CCNC(=O)N(CC)CCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GFPT1 Q06210 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
SCHEMBL18364787 0.95 ATM (0.44) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL18364365 0.93 ATM (0.45) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL18364186 0.91 HCAR2 (0.44) HCAR2ATMALDH1A1KDM4EHPGD
SCHEMBL18364876 0.88 ATM (0.49) HCAR2ATMALDH1A1KDM4EHPGD
SCHEMBL18364163 0.87 HCAR2 (0.41) HCAR2ATMALDH1A1KDM4EHPGD
SCHEMBL18364151 0.84 HCAR2 (0.41) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL18364168 0.84 HCAR2 (0.43) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL18364442 0.84 ATM (0.45) HCAR2ATMALDH1A1KDM4EHPGD
SCHEMBL18364158 0.83 HCAR2 (0.42) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL18364183 0.81 ZDHHC2 (0.46) HCAR2ALDH1A1KDM4EHPGDSMN1; SMN2

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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885

“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.