SCHEMBL2448831

SCHEMBL2448831

CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)c5cccc(c(c1)c23)c54

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 5/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 2/20 0.33
RXRA P19793 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL29818226 0.86 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22534075 0.86 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL515458 0.86 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2453098 0.85 ALDH1A1 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14680481 0.83 HDAC4 (0.33) ALDH1A1HPGDHSD17B10TDP1PPARG
SCHEMBL2453096 0.83 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL7528069 0.82
SCHEMBL925882 0.82 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL133411 0.81 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12071350 0.79 CYP1A2 (0.41) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-11637250-B2 Polycyclic aromatic compound and light emitting layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-04-25 US disclosed
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-07 US disclosed
US-11539003-B2 Polycyclic aromatic amino compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-12-27 US disclosed
US-11407774-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-08-09 US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-06-03 US disclosed
US-10811613-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-10-20 US disclosed
EP-2669262-A1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC Corporation (JP) 2013-12-04 EP disclosed
US-20130292665-A1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC CORPORATION (JP) 2013-11-07 US disclosed
US-20130134405-A1 BENZOFLUORENE COMPOUND, EMISSION MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2013-05-30 US disclosed
EP-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device JNC CORPORATION (JP) 2008-07-03 US disclosed
US-20070212568-A1 Organic Electroluminescent Device CHISSO CORPORATION (JP) 2007-09-13 US disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 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 (13 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-11539003-B2 Polycyclic aromatic amino compound BCAT2, BCAT1, SLC7A5 CYP1A2 3449/4885ERBB2 160/4885FYN 2909/4885
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 CYP1A2 2158/4885ERBB2 1608/4885FYN 1530/4885
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND ARNT, TYR, AHR CYP1A2 1093/4885ERBB2 1936/4885FYN 2670/4885
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device AOC2, TYR, BMI1 CYP1A2 1528/4885ERBB2 2191/4885FYN 2460/4885
US-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR CYP1A2 88/4885ERBB2 703/4885FYN 2042/4885
US-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP1A2 3552/4885ERBB2 1065/4885FYN 3137/4885
US-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device LEF1, TRPA1, BRD8 CYP1A2 393/4885ERBB2 2043/4885FYN 591/4885
US-10811613-B2 Polycyclic aromatic compound ETV6, PAH, EBPL CYP1A2 2086/4885ERBB2 501/4885FYN 1979/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT CYP1A2 239/4885ERBB2 2446/4885FYN 2492/4885
US-11637250-B2 Polycyclic aromatic compound and light emitting layer-forming composition C9, TYR, CCNA1 CYP1A2 48/4885ERBB2 1683/4885FYN 3537/4885
US-11407774-B2 Polycyclic aromatic compound ETV6, EML4, EBPL CYP1A2 3501/4885ERBB2 1096/4885FYN 3048/4885
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 CYP1A2 829/4885ERBB2 3677/4885FYN 3543/4885
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 CYP1A2 1391/4885ERBB2 3856/4885FYN 3452/4885

“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.