SCHEMBL18567003

SCHEMBL18567003

CC(C)NC(=O)C(=O)COC(=O)/C=C/C(=O)OCC(=O)C(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
RCE1 Q9Y256 1/20 0.41
POLB P06746 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 2/20 0.38
HCAR2 Q8TDS4 3/20 0.35
GAA P10253 2/20 0.35
ATM Q13315 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 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
SCHEMBL18352093 0.81 MAPT (0.46) LMNAALDH1A1MAPTMDM4MDM2
SCHEMBL18288665 0.80 LMNA (0.60) LMNAALDH1A1MAPTKDM4ERCE1
SCHEMBL18352120 0.80 HCAR2 (0.41) LMNAALDH1A1MAPTKDM4ERCE1
SCHEMBL18352062 0.80 HCAR2 (0.44) LMNAALDH1A1MAPTKDM4ERCE1
SCHEMBL18352142 0.79 MAPT (0.41) LMNAMAPTMDM4MDM2KMT2A
SCHEMBL18566991 0.78 POLB (0.39) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL18352121 0.77 HCAR2 (0.38) LMNAALDH1A1MAPTKDM4ERCE1
SCHEMBL18352092 0.77 HCAR2 (0.38) LMNAALDH1A1MAPTKDM4ERCE1
SCHEMBL18352061 0.77 MAPT (0.43) LMNAALDH1A1MAPTMDM4MDM2
SCHEMBL18352150 0.76 HCAR2 (0.41) LMNAMAPTMDM4MDM2HCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597306-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-03-21 US disclosed
US-9597306-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-03-21 US disclosed
US-20170056358-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-02 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-20170056358-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC LMNA 4358/4885ALDH1A1 1949/4885MAPT 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.