SCHEMBL10015442

SCHEMBL10015442

O=C1C(=O)c2cc(-c3ccccc3)cc3cccc1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CES2 O00748 2/20 0.57
BCHE P06276 2/20 0.57
MCL1 Q07820 1/20 0.57
NPSR1 Q6W5P4 4/20 0.52
MAPT P10636 3/20 0.52
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
APAF1 O14727 2/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
GALK1 P51570 2/20 0.52
BLM P54132 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52

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
SCHEMBL12205420 0.88 MEN1 (0.53) CES1ALDH1A1CES2BCHEMCL1
Acenaphthoquinone SCHEMBL19212172 0.86 ALDH1A1 (0.77) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL23068382 0.82 ALDH1A1 (0.56) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL31107074 0.82 ALDH1A1 (0.56) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL5998053 0.82 TYMS (0.60) NPSR1MAPTATML3MBTL1MEN1
SCHEMBL17529466 0.81 PARP1 (0.61) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL28017773 0.80 ALDH1A1 (0.46) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL1232155 0.78 PTPN1 (0.50) ALDH1A1NPSR1MAPTATML3MBTL1
SCHEMBL28928974 0.77 CES1 (0.40) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL28929001 0.77 MEN1 (0.38) CES1NPSR1MAPTATML3MBTL1

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 10 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
EP-2421809-B1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2015-09-02 EP 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
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
WO-2010123153-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2010-10-28 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 (1 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-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS ACE, ACE2, AGTR1 CES1 1458/4885ALDH1A1 218/4885CES2 1093/4885

“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.