SCHEMBL6435482

SCHEMBL6435482

O=C(NCCCNC(=O)NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.83
EPHX1 P07099 3/20 0.76
KEAP1 Q14145 1/20 0.65
NFE2L2 Q16236 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA4 P22748 2/20 0.58
CA5A P35218 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
FES P07332 1/20 0.58
RET P07949 1/20 0.58
MARK3 P27448 1/20 0.58
TYK2 P29597 1/20 0.58
FLT4 P35916 1/20 0.58
SYK P43405 1/20 0.58
CLK2 P49760 1/20 0.58

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
SCHEMBL12913675 0.94 EPHX2 (0.75) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL6436792 0.94 EPHX2 (0.80) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL6438376 0.94 EPHX2 (0.80) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL6436358 0.94 EPHX2 (0.80) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL12914924 0.93 EPHX2 (0.73) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL13987062 0.91 EPHX2 (0.71) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL12914915 0.91 EPHX2 (0.71) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL17117339 0.91 EPHX2 (1.00) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL714625 0.89 EPHX1 (0.77) EPHX2EPHX1SMN1; SMN2GAATP53
SCHEMBL5612314 0.89 EPHX2 (0.73) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-20160139303-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE, AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-05-19 US disclosed
US-20160139303-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE, AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-05-19 US disclosed
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2015-12-17 US disclosed
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2015-12-17 US disclosed
US-20050077648-A1 Solution casting method and polymer film FUJIFILM CORPORATION (JP) 2005-04-14 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 (2 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-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device NR1D1, NR1H2, NR1D2 EPHX2 1620/4885EPHX1 2568/4885KEAP1 3653/4885
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE NR1D1, NR1H2, NR1D2 EPHX2 1620/4885EPHX1 2568/4885KEAP1 3653/4885

“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.