SCHEMBL18364397

SCHEMBL18364397

CC(=O)NCCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PAOX Q6QHF9 3/20 0.36
ADRA1A P35348 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL18364156 0.90 HCAR2 (0.47) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18412265 0.88 ATM (0.55) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18354930 0.88 HCAR2 (0.44) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18406545 0.86 HCAR2 (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18374814 0.86 MAPT (0.51) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18355257 0.86 HCAR2 (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18396210 0.86 HCAR2 (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18364372 0.85 HCAR2 (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18406543 0.85 ATM (0.46) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18352664 0.84 ATM (0.47) HCAR2ATMMAPTRAB9ANPSR1

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-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 US disclosed
US-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 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 (2 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-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885MAPT 8/4885
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885MAPT 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.