SCHEMBL18364441

SCHEMBL18364441

COC(=O)/C=C/C(=O)OCCCNC(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
EPHX1 P07099 1/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
PPID Q08752 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CASR P41180 1/20 0.45
PTPN1 P18031 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL18364462 0.96 EPHX2 (0.55) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364437 0.95 EPHX2 (0.53) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364467 0.95 EPHX2 (0.53) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364879 0.95 EPHX2 (0.61) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364145 0.92 EPHX1 (0.54) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364394 0.91 MAPT (0.63) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364374 0.88 EPHX2 (0.51) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18364746 0.86 EPHX1 (0.59) EPHX2EPHX1MAPTL3MBTL1PPID
SCHEMBL18355150 0.84 MAPT (0.53) MAPTL3MBTL1SMN1; SMN2HCAR2LMNA
SCHEMBL18374915 0.84 MAPT (0.56) EPHX2EPHX1MAPTL3MBTL1PPID

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 EPHX2 2144/4885EPHX1 2795/4885MAPT 8/4885

“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.