SCHEMBL2291863

SCHEMBL2291863

Cc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 5/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GUSB P08236 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
THRB P10828 1/20 0.40
COMT P21964 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39

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
Ammonia Solution, Strong SCHEMBL27726554 0.98 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL21960023 0.98 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2082821 0.92 TDP1 (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2122937 0.90 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29547734 0.90 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29512003 0.90 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2083685 0.85 GRM2 (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL12200447 0.84 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9957832 0.84 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL26328449 0.84 CYP1A2 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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 17 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
EP-2128217-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2016-02-17 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-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 US disclosed
EP-2128217-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-12-02 EP disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 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
CN-101080376-A Pyrene compound and light-emitting transistor element using same PIONEER CORP (JP) 2007-11-28 CN 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 1929/4885HPGD 3235/4885HSD17B10 1510/4885
US-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 ALDH1A1 394/4885HPGD 1393/4885HSD17B10 1125/4885

“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.