SCHEMBL4585407

SCHEMBL4585407

Brc1c(Br)c2ccc3cccc4ccc(c1Br)c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HSD17B10 Q99714 6/20 0.55
HPGD P15428 5/20 0.55
TSHR P16473 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.37
HPRT1 P00492 1/20 0.36

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
SCHEMBL28659812 0.92 HSD17B10 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL11778179 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL28244803 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL31337696 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL12014663 0.82 HSD17B10 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL4585655 0.82 CYP1A2 (0.44) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL713316 0.81 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL2539042 0.81 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL14936000 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL29913633 0.78 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193697-B Light emitting element material and luminous element TORAY INDUSTRIES, INC. (JP) 2015-11-18 CN disclosed
CN-101768436-B Organic light emitting material and organic light emitting device using the same LG DISPLAY CO LTD 2014-06-11 CN disclosed
CN-101473012-B Material for light-emitting device, and light-emitting device TORAY INDUSTRIES 2013-12-18 CN disclosed
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-101128561-B Light emitting element material and light emitting element TORAY INDUSTRIES 2011-08-10 CN disclosed
CN-101768436-A Organic light emitting material and organic light emitting device using the same LG DISPLAY CO LTD 2010-07-07 CN disclosed
CN-101473012-A Material for light-emitting device, and light-emitting device TORAY INDUSTRIES (JP) 2009-07-01 CN disclosed
CN-101258221-A Light-emitting device material and light-emitting device TORAY INDUSTRIES (JP) 2008-09-03 CN disclosed
CN-101128561-A Light emitting element material and light emitting element TORAY INDUSTRIES (JP) 2008-02-20 CN disclosed
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
CN-101072743-A Pyrene compound, and light-emitting transistor element and organic electroluminescent element using same PIONEER CORP (JP) 2007-11-14 CN disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 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 (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-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 ALDH1A1 1298/4885HSD17B10 2038/4885HPGD 2103/4885

“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.