SCHEMBL1753908

SCHEMBL1753908

CC(C)(C)c1cc2ccc3ccc(B(O)O)c4ccc(c1)c2c34

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL31107047 0.84 GABRA1 (0.33) ALDH1A1HPGDHSD17B10TDP1GABRA1
SCHEMBL12432007 0.83 ALDH1A1 (0.34) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16011392 0.81
SCHEMBL2597530 0.81 ALDH1A1 (0.39) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL21125905 0.78 CA2 (0.41) ALDH1A1HPGDHSD17B10TDP1GABRA1
SCHEMBL29840683 0.77 ALDH1A1 (0.54) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL224652 0.77 ALDH1A1 (0.54) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL13228933 0.77 ALDH1A1 (0.33) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6354584 0.77 GABRA1 (0.43) CYP1A2ACHEALDH1A1CYP3A4HPGD
SCHEMBL4141419 0.77 ALDH1A1 (0.59) ERBB2CYP1A2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9166173-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
US-8968890-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-03 US disclosed
US-8968890-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-03 US disclosed
US-8426039-B2 9,10-bisphenylphenanthrene derivative and organic light emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2013-04-23 US disclosed
US-20130056722-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-03-07 US disclosed
US-20130001543-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20130001543-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
US-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
US-20120104364-A1 9,10-BISPHENYLPHENANTHRENE DERIVATIVE AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-03 US disclosed
US-8158835-B2 Fluorene compound and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2012-04-17 US disclosed
US-8158835-B2 Fluorene compound and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2012-04-17 US disclosed
WO-2011158767-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-12-22 WO disclosed
WO-2011145637-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-11-24 WO disclosed
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2009-08-13 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 (4 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-20130056722-A1 NOVEL ORGANIC COMPOUND OCIAD1, ORC3, OCIAD2 ERBB2 4305/4885CYP1A2 887/4885FYN 4155/4885
US-20120104364-A1 9,10-BISPHENYLPHENANTHRENE DERIVATIVE AND ORGANIC LIGHT EMITTING DIODE USING THE SAME PAH, CRY1, TRPA1 ERBB2 3932/4885CYP1A2 66/4885FYN 4736/4885
US-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE AFF1, LEF1, AFF2 ERBB2 2784/4885CYP1A2 690/4885FYN 1290/4885
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE AFF1, LEF1, AFF2 ERBB2 2784/4885CYP1A2 690/4885FYN 1290/4885

“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.