SCHEMBL18355462

SCHEMBL18355462

CCNC(=O)OCCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
HCAR2 Q8TDS4 7/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ATM Q13315 1/20 0.47
ACHE P22303 6/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18353144 0.94 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4HCAR2
SCHEMBL18355353 0.93 ATM (0.53) CHRNB2CHRNB4CHRNA3CHRNA4HCAR2
SCHEMBL18353216 0.87 ATM (0.59) CHRNB2CHRNB4CHRNA3CHRNA4HCAR2
SCHEMBL17187306 0.84 HCAR2 (0.68) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL16674069 0.82 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL18355147 0.81 HCAR2 (0.52) CHRNB2CHRNA4HCAR2KEAP1NFE2L2
SCHEMBL7954444 0.79 TSHR (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL18355229 0.79 L3MBTL1 (0.46) HCAR2KEAP1NFE2L2ATMACHE
SCHEMBL18364149 0.79 HCAR2 (0.45) HCAR2KEAP1NFE2L2ATMMAPT
Tegomil Fumarate SCHEMBL17187305 0.78 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMMEN1

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 CHRNB2 2170/4885CHRNB4 2401/4885CHRNA3 2227/4885

“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.