SCHEMBL10015432

SCHEMBL10015432

CC(C)(C)c1cc(B(O)O)c2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1I2 O75469 1/20 0.41
TRPV1 Q8NER1 4/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
KIF11 P52732 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
LRRK2 Q5S007 1/20 0.33
POLB P06746 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
SCHEMBL7525355 0.86 ALDH1A1 (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16351784 0.81 GPR84 (0.38) ALDH1A1HPGDHSD17B10MEN1GAA
SCHEMBL30117491 0.81 GPR84 (0.38) ALDH1A1HPGDHSD17B10MEN1GAA
SCHEMBL722323 0.78 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL27241188 0.78 NR1I2 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL31107047 0.78 GABRA1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL24276292 0.75 KIF11 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20043182 0.74 KCNH2 (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15947198 0.74 CA2 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29951609 0.74 CA2 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1

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-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 US disclosed
US-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 US disclosed
US-8940413-B2 Organic compound having acenaphtho[1,2-k]benzo[e]acephenanthrene derivative, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2015-01-27 US disclosed
US-8940413-B2 Organic compound having acenaphtho[1,2-k]benzo[e]acephenanthrene derivative, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2015-01-27 US disclosed
US-20140374738-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2014-12-25 US disclosed
US-20140374738-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2014-12-25 US disclosed
EP-2569268-B1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KK (JP) 2014-11-05 EP disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed
US-20110315973-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
US-20110315973-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
WO-2011136155-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-11-03 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-20110315973-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE NR2E3, PYM1, TYR ALDH1A1 1824/4885HPGD 2624/4885ALOX15 967/4885
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS ACE, ACE2, AGTR1 ALDH1A1 218/4885HPGD 2925/4885ALOX15 1653/4885
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TYR, CYP3A4, DDT ALDH1A1 198/4885HPGD 2362/4885ALOX15 352/4885

“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.