SCHEMBL18364244

SCHEMBL18364244

CCNC(=O)NCCOC(=O)/C=C/C(=O)OCOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 5/20 0.38
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FAAH O00519 1/20 0.30
EPHX1 P07099 2/20 0.30

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
SCHEMBL18364766 0.89 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18364209 0.85 ATM (0.38) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18364178 0.84 HCAR2 (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18364149 0.84 HCAR2 (0.45) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18364899 0.79 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL18364181 0.79 HCAR2 (0.43) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL17487299 0.76 HCAR2 (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL10991544 0.76 HCAR2 (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL13051497 0.76 TSHR (0.52) ATMEPHX2ALDH1A1CYP3A4HSD17B10
SCHEMBL18364383 0.75 ATM (0.50) ATMHCAR2MAPTRAB9ANPSR1

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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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 (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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885HCAR2 290/4885MAPT 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.