SCHEMBL3978100

SCHEMBL3978100

Cc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HPGD P15428 6/20 0.70
HSD17B10 Q99714 5/20 0.70
TSHR P16473 4/20 0.70
CYP3A4 P08684 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
CYP1A2 P05177 10/20 0.50
FYN P06241 2/20 0.50
ACHE P22303 2/20 0.50
AHR P35869 2/20 0.50
ERBB2 P04626 1/20 0.50
MAOA P21397 1/20 0.50
THRB P10828 1/20 0.50
CYP2A6 P11509 4/20 0.48
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PABPC1 P11940 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A1 P04798 1/20 0.42

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
SCHEMBL4129543 0.94 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL2956150 0.88 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL2083628 0.87 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL27602345 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL4590420 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL290363 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29351387 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29653567 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29413360 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29814212 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193697-A Light-emitting device material and light-emitting device TORAY INDUSTRIES 2013-07-10 CN disclosed
CN-101258221-B Light-emitting device material and light-emitting device TORAY INDUSTRIES 2013-04-03 CN disclosed
CN-101155896-B Organic electroluminescent device MERCK PATENT GMBH 2012-08-29 CN disclosed
CN-101128561-B Light emitting element material and light emitting element TORAY INDUSTRIES 2011-08-10 CN disclosed
US-7541098-B2 Light-emitting organic compound and light-emitting element utilizing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-06-02 US disclosed
CN-101258221-A Light-emitting device material and light-emitting device TORAY INDUSTRIES (JP) 2008-09-03 CN disclosed
US-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
CN-101155896-A Organic electroluminescent device MERCK PATENT GMBH (DE) 2008-04-02 CN disclosed
CN-101128561-A Light emitting element material and light emitting element TORAY INDUSTRIES (JP) 2008-02-20 CN disclosed
EP-1871856-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006108498-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2006-10-19 WO disclosed
US-20050095455-A1 Light-emitting organic compound and light-emitting element utilizing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2005-05-05 US 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-20050095455-A1 Light-emitting organic compound and light-emitting element utilizing the same ARL1, LAS1L, ARRB1 ALDH1A1 198/4885HPGD 4723/4885HSD17B10 3403/4885
US-20080166593-A1 Organic Electroluminescent Devices OR10J3, DDT, EML4 ALDH1A1 610/4885HPGD 2780/4885HSD17B10 2215/4885

“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.