SCHEMBL2081479

SCHEMBL2081479

Cc1ccc(-c2ccc3ccc4c(-c5ccc(C)cc5)cc(Br)c5ccc2c3c54)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
MAOB P27338 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
PPARG P37231 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
COMT P21964 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL5436565 0.90 CA12 (0.38) GRM2MAOBCA12CA9ADORA3
SCHEMBL2288267 0.88 COMT (0.34) GRM2MAOBADORA3KDM4EHPGD
SCHEMBL2083685 0.88 GRM2 (0.40) GRM2MAOBCA12CA9ADORA3
SCHEMBL2081958 0.88 CA12 (0.37) GRM2MAOBCA12CA9ADORA3
SCHEMBL2082821 0.84 TDP1 (0.40) GRM2MAOBCA12CA9ADORA3
SCHEMBL2789444 0.84 PIK3R1 (0.33) GRM2KDM4EHPGDPPARGNPSR1
SCHEMBL11024611 0.83 ALDH1A1 (0.39) MAOBKDM4EHPGDL3MBTL1RAB9A
SCHEMBL10260140 0.83
SCHEMBL4141727 0.81 TSHR (0.34) GRM2CA12CA9ALDH1A1TSHR
SCHEMBL28037203 0.81 ALDH1A1 (0.31) HPGDL3MBTL1ALDH1A1CYP3A4TSHR

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
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-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-8610345-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2013-12-17 US disclosed
EP-2028249-B1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2013-05-08 EP disclosed
EP-1852486-B1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES (JP) 2012-08-22 EP 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
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
EP-2028249-A1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-02-25 EP disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP disclosed
EP-1852486-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2007-11-07 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 (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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 GRM2 344/4885MAOB 3703/4885CA12 4058/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 GRM2 1285/4885MAOB 2180/4885CA12 2165/4885
US-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 GRM2 2501/4885MAOB 2776/4885CA12 3342/4885

“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.