SCHEMBL18364162

SCHEMBL18364162

CC(C)CNC(=O)NCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
HCAR2 Q8TDS4 3/20 0.42
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL18364148 0.88 EPHX1 (0.45) EPHX1HCAR2HPGDALDH1A1THRB
SCHEMBL18364170 0.87 EPHX1 (0.47) EPHX1HCAR2HPGDALDH1A1THRB
SCHEMBL18364181 0.87 HCAR2 (0.43) HCAR2ATMCYP2C19MAPTRAB9A
SCHEMBL18364153 0.85 HCAR2 (0.44) HCAR2ATMCYP2C19MAPTRAB9A
SCHEMBL18364173 0.84 HCAR2 (0.43) EPHX1HCAR2ALDH1A1ATMCYP2C19
SCHEMBL18364156 0.81 HCAR2 (0.47) HCAR2ATMCYP2C19MAPTRAB9A
SCHEMBL18354885 0.81 HCAR2 (0.47) HCAR2ATMCYP2C19MAPTRAB9A
SCHEMBL18364188 0.81 HCAR2 (0.41) HCAR2ATMCYP2C19MAPTRAB9A
SCHEMBL18395770 0.80 HCAR2 (0.46) HCAR2ALDH1A1ATMCYP2C19CYP2D6
SCHEMBL21950046 0.80 TSHR (0.49) EPHX1HPGDALDH1A1THRBCYP2C19

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 EPHX1 2795/4885HCAR2 290/4885HPGD 113/4885

“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.