SCHEMBL2085261

SCHEMBL2085261

Brc1ccc2ccc3c(Br)cc(Br)c4ccc1c2c34

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL30045816 1.00 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL283079 0.89 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29789405 0.89 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1062422 0.89 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2835557 0.89 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17301471 0.85 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1005904 0.84 HSP90AA1 (0.33) ALDH1A1TDP1
SCHEMBL2122425 0.83 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11659298 0.82 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28217140 0.82 ALDH1A1 (0.47) CYP1A2ERBB2FYNMAOAACHE

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250034-A A kind of biphenyl compound and its application in 1,3,6- tribromo pyrenes are prepared 李现伟 2018-07-06 CN claimed
US-4952624-A Polyarylene sulfide mixtures with reduced radical formation under highly accelerated weathering BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US claimed
EP-0355002-A2 Compositions of polyarylene sulfide with a reduced formation of radicals at ultra short weathering BAYER AG (DE) 1990-02-21 EP claimed
CN-117447295-A 1,3, 6-tris [2- (4-hexylphenyl) ethynyl ] pyrene and preparation method thereof 中国石油大学(华东) 2024-01-26 CN disclosed
CN-117447295-A 1,3, 6-tris [2- (4-hexylphenyl) ethynyl ] pyrene and preparation method thereof 中国石油大学(华东) 2024-01-26 CN disclosed
US-11700769-B2 Organic electroluminescent element, compound, and light emitting device, display device and lighting system, using said element UDC IRELAND LIMITED (IE) 2023-07-11 US disclosed
CN-110156611-B Phenyl branched luminescent material and organic electroluminescent device thereof 武汉尚赛光电科技有限公司 2022-11-11 CN disclosed
CN-110156611-A A kind of phenyl cladodification luminescent material and its organic electroluminescence device 武汉尚赛光电科技有限公司 2019-08-23 CN disclosed
CN-108250034-A A kind of biphenyl compound and its application in 1,3,6- tribromo pyrenes are prepared 李现伟 2018-07-06 CN disclosed
CN-108250034-A A kind of biphenyl compound and its application in 1,3,6- tribromo pyrenes are prepared 李现伟 2018-07-06 CN disclosed
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP 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-1852486-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2007-11-07 EP 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
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
US-5008430-A Mercaptopyrenes, preparation thereof and use thereof for the preparation of charge transfer complexes BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4952624-A Polyarylene sulfide mixtures with reduced radical formation under highly accelerated weathering BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0355002-A2 Compositions of polyarylene sulfide with a reduced formation of radicals at ultra short weathering BAYER AG (DE) 1990-02-21 EP disclosed
EP-0339419-A2 Mercaptopyrenes, their preparation and their use for the preparation of charge-transfer-complexes BAYER AG (DE) 1989-11-02 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-11700769-B2 Organic electroluminescent element, compound, and light emitting device, display device and lighting system, using said element ALDH1A2, AOC2, AOX1 CYP1A2 149/4885ERBB2 2560/4885FYN 2008/4885
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 CYP1A2 191/4885ERBB2 1872/4885FYN 3201/4885

“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.