SCHEMBL662569

SCHEMBL662569

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(I)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21970457 0.89 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29649835 0.84 TDP2 (0.38) CASP3TDP2
SCHEMBL31065872 0.84 TDP2 (0.38) CASP3TDP2
SCHEMBL1419163 0.84 TDP2 (0.38) CASP3TDP2
SCHEMBL25725713 0.81 ALDH1A1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL22780261 0.80 TSHR (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL13278527 0.80 ALDH1A1 (0.50) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL23624434 0.79 ALDH1A1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL429926 0.79 PDK2 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL31547362 0.79 PDK2 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8743031-B2 Dibenzothiophene compound and organic light-emitting element based on the same CANON KABUSHIKI KAISHA (JP) 2014-06-03 US disclosed
US-8384286-B2 Compound and organic light emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2013-02-26 US disclosed
US-20120075171-A1 DIBENZOTHIOPHENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT BASED ON THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-29 US disclosed
US-20120075171-A1 DIBENZOTHIOPHENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT BASED ON THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-29 US disclosed
US-20120043535-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-02-23 US disclosed
US-8072136-B2 Compound and organic light emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
EP-2004580-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KK (JP) 2011-05-25 EP disclosed
US-7883786-B2 highly efficient and highly luminescent optical power and is superior in durability CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-7883786-B2 highly efficient and highly luminescent optical power and is superior in durability CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
EP-2004580-A4 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KK (JP) 2009-07-15 EP disclosed
EP-2004580-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND Canon Kabushiki Kaisha (JP) 2008-12-24 EP disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
WO-2007114038-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO 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 (3 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-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LEF1, CYP1B1, ESR1 ALDH1A1 10/4885NPC1 2871/4885PLA2G1B 2780/4885
US-20120075171-A1 DIBENZOTHIOPHENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT BASED ON THE SAME TPT1, RFT1, ARNT ALDH1A1 83/4885NPC1 959/4885PLA2G1B 2685/4885
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND KCNK9, TRPA1, KCNK10 ALDH1A1 336/4885NPC1 3345/4885PLA2G1B 4649/4885

“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.