SCHEMBL18354902

SCHEMBL18354902

COC(=O)/C=C/C(=O)OCCOC(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.56
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 3/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL18355148 0.94 EPHX1 (0.57) EPHX1NPSR1EPHX2RAB9ASMN1; SMN2
SCHEMBL18352522 0.94 EPHX1 (0.58) EPHX1EPHX2RAB9ASMN1; SMN2NAAA
SCHEMBL17550885 0.82 EPHX1 (0.64) EPHX1NPSR1EPHX2RAB9ASMN1; SMN2
SCHEMBL2436673 0.81 EPHX1 (0.59) EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL18364177 0.81 EPHX2 (0.59) EPHX1EPHX2
SCHEMBL16092908 0.80 L3MBTL1 (0.47) EPHX1NPSR1EPHX2RAB9ASMN1; SMN2
SCHEMBL18355260 0.79 EPHX1 (0.41) EPHX1KEAP1NFE2L2HCAR2NAAA
SCHEMBL18364363 0.79 EPHX2 (0.68) EPHX1EPHX2
SCHEMBL18354919 0.79 EPHX1 (0.41) EPHX1NPSR1EPHX2RAB9ALMNA
SCHEMBL18352143 0.78 NPSR1 (0.47) NPSR1EPHX2RAB9ASMN1; SMN2LMNA

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC EPHX1 2795/4885NPSR1 4344/4885EPHX2 2144/4885

“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.