SCHEMBL3289558

SCHEMBL3289558

c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
AHR P35869 4/20 0.41
CHRM3 P20309 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL29367681 0.90 KDM4E (0.43) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL29403370 0.90 KDM4E (0.43) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL5998195 0.90 KDM4E (0.43) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL24140666 0.88 ALOX5 (0.39) ALOX5MAOAMAOBAHRCHRM3
Hydrochloric Acid SCHEMBL30913035 0.88 KDM4E (0.42) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL19530889 0.88 KDM4E (0.42) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL15030650 0.86 ALOX5 (0.60) ALOX5MAPK1GAANPSR1
SCHEMBL29373270 0.86 ALOX5 (0.60) ALOX5MAPK1GAANPSR1
SCHEMBL4388225 0.85 ALOX5 (0.41) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL14278905 0.84 MAOA (0.37) ALOX5MAOAMAOBAHRCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192665-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20210408398-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DEVICE Wuhan China Star Optoelectronics Semiconductor Display Technology Co., Ltd (CN) 2021-12-30 US disclosed
US-11038137-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-06-15 US disclosed
US-10790455-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-09-29 US disclosed
US-20180309067-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-10-25 US disclosed
US-9929354-B2 9,9′-spirobixanthene derivatives for electroluminescent devices MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9929354-B2 9,9′-spirobixanthene derivatives for electroluminescent devices MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9929354-B2 9,9′-spirobixanthene derivatives for electroluminescent devices MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20160329507-A1 9,9'-SPIROBIXANTHENE DERIVATIVES FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-9425401-B2 9,9′-spirobixanthene derivatives for electroluminescent devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
EP-2463929-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING SAME Mitsubishi Chemical Corporation (JP) 2012-06-13 EP disclosed
US-20110227054-A1 OLED INCLUDING HOLE-CONDUCTING MATERIAL KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2011-09-22 US disclosed
US-7714149-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7589218-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2009-09-15 US disclosed
US-20080293953-A1 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2008-11-27 US disclosed
WO-2006028977-A2 CHIRAL SPIRO COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYTIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2006-03-16 WO disclosed
US-20060047128-A1 (R)-O,O'-(9,9'-Spirobixanthene-1,1'-diyl)-N,N-Dimethylphosphoramide [(R)-4] ligand forms hydrogenation catalyst with Rh compounds for asymmetrical hydrogenation of olefins, imines, enamides and ketones THE PENN STATE RESEARCH FOUNDATION 2006-03-02 US disclosed
US-5763636-A CONJUGATED POLYCYCLIC POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-09 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 (8 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-20160329507-A1 9,9'-SPIROBIXANTHENE DERIVATIVES FOR ELECTROLUMINESCENT DEVICES KCNK9, SLC9B2, SCN9A ALOX5 2797/4885MAOA 1654/4885MAOB 594/4885
US-20080293953-A1 Chiral spiro compounds and their use in asymmetric catalytic reactions NCOR2, NCOR1, NCOA2 ALOX5 894/4885MAOA 1009/4885MAOB 802/4885
US-20060047128-A1 (R)-O,O'-(9,9'-Spirobixanthene-1,1'-diyl)-N,N-Dimethylphosphoramide [(R)-4] ligand forms hydrogenation catalyst with Rh compounds for asymmetrical hydrogenation of olefins, imines, enamides and ketones NCOR2, NR3C2, NR4A2 ALOX5 1068/4885MAOA 1626/4885MAOB 1128/4885
US-20180309067-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, EZH1, BMI1 ALOX5 1376/4885MAOA 2319/4885MAOB 2503/4885
US-20210408398-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DEVICE SLC39A3, SOD1, SLC39A11 ALOX5 1900/4885MAOA 1527/4885MAOB 1002/4885
US-10790455-B2 Organic electroluminescent materials and devices ORC3, ALKBH2, ENPP3 ALOX5 1488/4885MAOA 2570/4885MAOB 609/4885
US-20230192665-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ODC1 ALOX5 535/4885MAOA 68/4885MAOB 10/4885
US-11038137-B2 Organic electroluminescent materials and devices ORC3, NUDC, AOC1 ALOX5 1328/4885MAOA 2370/4885MAOB 1762/4885

“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.