SCHEMBL18364150

SCHEMBL18364150

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HCAR2 Q8TDS4 5/20 0.44
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 7/20 0.39
LMNA P02545 2/20 0.39
MDM2 Q00987 2/20 0.39
MDM4 O15151 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18364790 0.94 EPHX1 (0.47) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364445 0.91 EPHX1 (0.51) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364166 0.89 EPHX1 (0.44) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364173 0.86 HCAR2 (0.43) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364880 0.84 EPHX1 (0.53) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364170 0.83 EPHX1 (0.47) EPHX1HCAR2TSHRATMMAPT
SCHEMBL18364178 0.82 HCAR2 (0.48) HCAR2ATMMAPTLMNAMDM2
SCHEMBL18364179 0.82 HCAR2 (0.48) HCAR2ATMMAPTLMNAMDM2
SCHEMBL22419399 0.81 TSHR (0.46) EPHX1TSHRMAPTHSD17B10ALDH1A1
SCHEMBL18406333 0.81 HCAR2 (0.47) HCAR2ATMMAPTLMNAMDM2

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 290/4885TSHR 4688/4885

“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.