SCHEMBL711202

SCHEMBL711202

COc1cccc(C=CC=Cc2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.56
RELA Q04206 1/20 0.53
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CHRM5 P08912 1/20 0.50
CYP19A1 P11511 1/20 0.49
NQO2 P16083 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48

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
SCHEMBL711201 1.00 NFE2L2 (0.56) NFE2L2RELACYP1A1CYP1A2CYP1B1
SCHEMBL19076166 0.91 RELA (0.60) NFE2L2RELACYP1A1CYP1A2CYP1B1
SCHEMBL28825636 0.84 NFE2L2 (0.55) NFE2L2RELACHRM5CYP19A1NQO2
SCHEMBL710224 0.83 NFE2L2 (0.52) NFE2L2CYP1A2MAPT
SCHEMBL710225 0.83 NFE2L2 (0.52) NFE2L2CYP1A2MAPT
SCHEMBL710153 0.83 NPC1 (0.55) NFE2L2RELACYP1A2CYP2D6CYP3A4
SCHEMBL710154 0.83 NPC1 (0.55) NFE2L2RELACYP1A2CYP2D6CYP3A4
SCHEMBL7592867 0.82 RELA (0.70) NFE2L2RELACYP1A1CYP1A2CYP1B1
SCHEMBL7592868 0.82 RELA (0.70) NFE2L2RELACYP1A1CYP1A2CYP1B1
SCHEMBL709598 0.80 NPC1 (0.48) RELACYP1A2MAPTFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NFE2L2 576/4885RELA 2662/4885CYP1A1 131/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NFE2L2 1105/4885RELA 3456/4885CYP1A1 72/4885

“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.