SCHEMBL18364307

SCHEMBL18364307

CC(C)OC(=O)/C=C/C(=O)OC[C@H](C)NC(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 2/20 0.50
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
ANPEP P15144 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPID Q08752 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL18364346 1.00 MAPT (0.55) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364762 0.94 MAPT (0.62) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364778 0.94 MAPT (0.62) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364216 0.90 MAPT (0.61) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364210 0.90 MAPT (0.61) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364242 0.90 MAPT (0.61) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364269 0.89 MAPT (0.63) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364298 0.89 MAPT (0.63) MAPTL3MBTL1ATMCYP2C19CYP3A4
SCHEMBL18364164 0.83 MAPT (0.49) MAPTL3MBTL1ATMANPEPPPID
SCHEMBL18364278 0.82 EPHX2 (0.47) MAPTCYP2C19NPC1RAB9AALDH1A1

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 MAPT 8/4885L3MBTL1 4164/4885ATM 4406/4885

“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.