SCHEMBL18355260

SCHEMBL18355260

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
NAAA Q02083 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL18354910 0.94 EPHX1 (0.42) EPHX1KMT2ANAAA
SCHEMBL18353028 0.94 EPHX1 (0.46) EPHX1KMT2ACA12CA1CA2
SCHEMBL18364176 0.83 EPHX1 (0.44) EPHX1KMT2ACA12CA1CA2
SCHEMBL18364381 0.81 EPHX2 (0.46) EPHX1KMT2ACA12CA1CA2
SCHEMBL18355227 0.81 LMNA (0.37) EPHX1NAAAKEAP1NFE2L2HCAR2
SCHEMBL23543513 0.80 KMT2A (0.54) EPHX1KMT2ACA12CA1CA2
SCHEMBL18354918 0.80 CTSK (0.45) EPHX1KMT2ACA12CA1CA2
SCHEMBL18354902 0.79 EPHX1 (0.56) EPHX1NAAAKEAP1NFE2L2HCAR2
SCHEMBL18355335 0.79 HRH4 (0.40) EPHX1NAAA
SCHEMBL18364406 0.78 FKBP1A (0.36) EPHX1KMT2ACA12CA1CA2

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 2795/4885KMT2A 1588/4885CA12 1851/4885

“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.