SCHEMBL18364170

SCHEMBL18364170

CCOC(=O)/C=C/C(=O)OCCNC(=O)NCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HCAR2 Q8TDS4 4/20 0.43
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 7/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL18364148 0.89 EPHX1 (0.45) EPHX1HCAR2ALDH1A1THRBHPGD
SCHEMBL18364162 0.87 EPHX1 (0.43) EPHX1HCAR2ALDH1A1THRBHPGD
SCHEMBL18364178 0.84 HCAR2 (0.48) HCAR2ATMMAPTLMNAMDM2
SCHEMBL18364150 0.83 EPHX1 (0.46) EPHX1HCAR2ALDH1A1ATMMAPT
SCHEMBL21950046 0.81 TSHR (0.49) EPHX1ALDH1A1THRBHPGDCYP2D6
SCHEMBL18364179 0.81 HCAR2 (0.48) HCAR2ALDH1A1THRBATMMAPT
SCHEMBL18364206 0.80 ZDHHC2 (0.46) EPHX1HCAR2ALDH1A1THRBHPGD
SCHEMBL18406333 0.80 HCAR2 (0.47) HCAR2ALDH1A1THRBATMCYP2D6
SCHEMBL23255696 0.79 HCAR2 (0.50) HCAR2ALDH1A1THRBHPGDCYP2D6
SCHEMBL18364766 0.79 ATM (0.48) EPHX1HCAR2ATMMAPTRAB9A

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 290/4885ALDH1A1 1949/4885

“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.