SCHEMBL18355148

SCHEMBL18355148

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
EPHX2 P34913 2/20 0.43
NAAA Q02083 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18354902 0.94 EPHX1 (0.56) EPHX1EPHX2NAAANPSR1SMN1; SMN2
SCHEMBL18352522 0.88 EPHX1 (0.58) EPHX1EPHX2NAAASMN1; SMN2RAB9A
SCHEMBL18364363 0.82 EPHX2 (0.68) EPHX1EPHX2
SCHEMBL18354910 0.81 EPHX1 (0.42) EPHX1NAAAATM
SCHEMBL18364386 0.80 EPHX1 (0.42) EPHX1EPHX2NPSR1SMN1; SMN2ATM
SCHEMBL13625188 0.80 EPHX1 (0.78) EPHX1EPHX2NAAASMN1; SMN2RAB9A
SCHEMBL18364177 0.79 EPHX2 (0.59) EPHX1EPHX2
SCHEMBL2801497 0.79 EPHX1 (0.67) EPHX1EPHX2SMN1; SMN2
SCHEMBL16092908 0.78 L3MBTL1 (0.47) EPHX1EPHX2NPSR1SMN1; SMN2ATM
SCHEMBL13625186 0.77 EPHX1 (0.91) EPHX1NAAA

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 2795/4885EPHX2 2144/4885NAAA 2343/4885

“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.