SCHEMBL18364166

SCHEMBL18364166

COC(=O)/C=C/C(=O)OCCNC(=O)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
HCAR2 Q8TDS4 5/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
GFPT1 Q06210 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL18364790 0.95 EPHX1 (0.47) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364379 0.91 EPHX1 (0.49) EPHX1HCAR2KEAP1NFE2L2TSHR
SCHEMBL18364430 0.89 EPHX1 (0.51) EPHX1HCAR2KEAP1NFE2L2TSHR
SCHEMBL18364150 0.89 EPHX1 (0.46) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364367 0.88 EPHX1 (0.54) EPHX1HCAR2KEAP1NFE2L2TSHR
SCHEMBL18364418 0.88 EPHX1 (0.54) EPHX1HCAR2KEAP1NFE2L2TSHR
SCHEMBL18364173 0.88 HCAR2 (0.43) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364880 0.85 EPHX1 (0.53) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18374819 0.83 HCAR2 (0.45) EPHX1HCAR2KEAP1NFE2L2TSHR
SCHEMBL18364148 0.83 EPHX1 (0.45) EPHX1HCAR2KEAP1NFE2L2TSHR

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 EPHX1 2795/4885HCAR2 290/4885KEAP1 468/4885

“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.