SCHEMBL18364892

SCHEMBL18364892

O=C(NCOC(=O)/C=C/C(=O)OCNC(=O)NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
EPHX1 P07099 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PPID Q08752 1/20 0.54
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HCAR2 Q8TDS4 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPN1 P18031 1/20 0.49
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL18374915 0.94 MAPT (0.56) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL18364746 0.84 EPHX1 (0.59) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL18364879 0.82 EPHX2 (0.61) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL714625 0.80 EPHX1 (0.77) EPHX1SMN1; SMN2PPIDEPHX2ALDH1A1
SCHEMBL18364145 0.80 EPHX1 (0.54) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL18364169 0.79 MAPT (0.66) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL18364196 0.79 EPHX1 (0.52) MAPTEPHX1SMN1; SMN2PPIDEPHX2
SCHEMBL18364778 0.78 MAPT (0.62) MAPTSMN1; SMN2PPIDEPHX2ALDH1A1
SCHEMBL18364762 0.78 MAPT (0.62) MAPTSMN1; SMN2PPIDEPHX2ALDH1A1
SCHEMBL18364441 0.78 EPHX2 (0.56) MAPTEPHX1SMN1; SMN2PPIDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008834-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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC MAPT 8/4885EPHX1 2795/4885SMN1; SMN2 79/4885

“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.