SCHEMBL18355227

SCHEMBL18355227

COC(=O)/C=C/C(=O)OCCNC(=O)OCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
NAAA Q02083 5/20 0.36
HRH4 Q9H3N8 6/20 0.35
HRH3 Q9Y5N1 6/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MGLL Q99685 1/20 0.33
EPHX1 P07099 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18352484 0.94 LMNA (0.41) LMNANAAAHRH4HRH3MGLL
SCHEMBL18355335 0.92 HRH4 (0.40) NAAAHRH4HRH3EPHX1EPHX2
SCHEMBL18355231 0.91 LMNA (0.40) LMNANAAAHRH4HRH3HCAR2
SCHEMBL18355110 0.87 CTSK (0.36) LMNANAAAHRH4HRH3HCAR2
SCHEMBL18352604 0.86 HRH4 (0.43) LMNANAAAHRH4HRH3EPHX1
SCHEMBL18355138 0.83 TSHR (0.40) LMNAHRH4HRH3
SCHEMBL18354874 0.82 EPHX1 (0.53) NAAAKEAP1NFE2L2HCAR2EPHX1
SCHEMBL18364176 0.81 EPHX1 (0.44) EPHX1EPHX2
SCHEMBL18355260 0.81 EPHX1 (0.41) NAAAKEAP1NFE2L2HCAR2EPHX1
SCHEMBL18354886 0.80 HRH4 (0.38) NAAAHRH4HRH3HCAR2EPHX1

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC LMNA 4358/4885NAAA 2343/4885HRH4 39/4885

“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.