SCHEMBL18355109

SCHEMBL18355109

CCOC(=O)NCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
ATM Q13315 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL18355343 0.91 ATM (0.45) HCAR2ATMALOX15MAPTRAB9A
SCHEMBL18354850 0.89 SMN1; SMN2 (0.45) HCAR2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL18354885 0.89 HCAR2 (0.47) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18353002 0.89 L3MBTL1 (0.49) HCAR2L3MBTL1ATMACHEKMT2A
SCHEMBL18355319 0.88 HCAR2 (0.46) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18355233 0.87 HCAR2 (0.52) HCAR2L3MBTL1ATMMAPTACHE
SCHEMBL18352593 0.85 SMN1; SMN2 (0.49) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18355229 0.84 L3MBTL1 (0.46) HCAR2L3MBTL1ATMACHEKMT2A
SCHEMBL18406328 0.83 HCAR2 (0.44) HCAR2ATMSMN1; SMN2MAPTRAB9A
SCHEMBL18364156 0.83 HCAR2 (0.47) HCAR2ATMALOX15SMN1; SMN2MAPT

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 HCAR2 290/4885L3MBTL1 4164/4885CHRNB2 2170/4885

“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.