SCHEMBL2494543

SCHEMBL2494543

c1ccc2c([C](c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
MMP3 P08254 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
PTPN1 P18031 1/20 0.54
CDC25B P30305 1/20 0.54
PLK1 P53350 1/20 0.54
CYP1A2 P05177 3/20 0.52
PTK2B Q14289 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP2A6 P11509 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
KEAP1 Q14145 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL5013860 0.87 CYP2A6 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL40515 0.85 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5012386 0.85 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL15534467 0.83 NR4A1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL383152 0.82 POLB (0.51) NR4A1NR4A2NR4A3PLK1L3MBTL1
SCHEMBL23709157 0.81 NR4A1 (0.60) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL17435205 0.81 NR4A1 (0.67) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5204746 0.79 NR4A1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.79 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL3255960 0.79 NR4A1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2022-05-17 US disclosed
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-09-19 US disclosed
EP-2468725-B1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2019-07-17 EP disclosed
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2019-07-16 US disclosed
EP-3375776-A1 BISIMIDAZOLIUM SALTS FOR ENERGY STORAGE Universitat de Lleida (ES) 2018-09-19 EP disclosed
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-03-03 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
EP-2468725-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 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 (9 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 NR4A1 3309/4885NR4A2 3616/4885NR4A3 3823/4885
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL NR4A1 2/4885NR4A2 6/4885NR4A3 7/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 NR4A1 4165/4885NR4A2 4394/4885NR4A3 4471/4885
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL NR4A1 2/4885NR4A2 6/4885NR4A3 7/4885
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL NR4A1 2/4885NR4A2 6/4885NR4A3 7/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 NR4A1 1456/4885NR4A2 635/4885NR4A3 960/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH NR4A1 3182/4885NR4A2 3728/4885NR4A3 3089/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 NR4A1 1456/4885NR4A2 635/4885NR4A3 960/4885
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL NR4A1 2/4885NR4A2 6/4885NR4A3 7/4885

“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.