SCHEMBL9920828

SCHEMBL9920828

CC(C)(C)c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4cc(-c5ccccc5)cc5ccc2c3c45)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARA Q07869 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
PTGES O14684 1/20 0.35
TP53 P04637 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
HDAC4 P56524 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM2 Q00987 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 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
SCHEMBL9920972 0.93 KDM4E (0.39) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920971 0.92 KDM4E (0.40) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920985 0.92 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL21234913 0.91 KDM4E (0.37) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL21234908 0.90 KDM4E (0.36) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920665 0.90 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL15446743 0.90 PPARG (0.39) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL21234911 0.90 KDM4E (0.38) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920914 0.89 KDM4E (0.35) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920913 0.88 KDM4E (0.36) ALDH1A1MAPTMAPK1NPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 EP disclosed
US-9169176-B2 Pyrene compound and organic electroluminescent device including the same CANON KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169176-B2 Pyrene compound and organic electroluminescent device including the same CANON KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-20120168736-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
US-20120168736-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
WO-2011030493-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-17 WO disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 ALDH1A1 1929/4885MAPT 3173/4885MAPK1 1279/4885
US-20120168736-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CYP1A1, PAH, CYP2E1 ALDH1A1 1421/4885MAPT 3176/4885MAPK1 434/4885

“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.