SCHEMBL18364381

SCHEMBL18364381

COC(=O)/C=C/C(=O)OCCCNC(=O)NCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
EPHX1 P07099 6/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 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
SCHEMBL18364896 0.95 EPHX1 (0.46) EPHX2EPHX1KDM4EPOLBSMN1; SMN2
SCHEMBL18364176 0.92 EPHX1 (0.44) EPHX2EPHX1KDM4EPOLBKMT2A
SCHEMBL18364412 0.91 KDM4E (0.46) EPHX2EPHX1KDM4EPOLBATM
SCHEMBL18364376 0.88 EPHX2 (0.40) EPHX2EPHX1KDM4EPOLBSMN1; SMN2
SCHEMBL18364752 0.86 EPHX1 (0.49) EPHX2EPHX1KDM4EPOLBSMN1; SMN2
SCHEMBL18354910 0.84 EPHX1 (0.42) EPHX1KDM4EPOLBKMT2AATM
SCHEMBL18364152 0.83 EPHX1 (0.43) EPHX2EPHX1KDM4EPOLBKMT2A
SCHEMBL18364363 0.83 EPHX2 (0.68) EPHX2EPHX1KDM4E
SCHEMBL18355335 0.82 HRH4 (0.40) EPHX2EPHX1SMN1; SMN2ATM
SCHEMBL18355260 0.81 EPHX1 (0.41) EPHX1KMT2ATDP1CA12CA1

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 EPHX2 2144/4885EPHX1 2795/4885KDM4E 3556/4885

“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.