SCHEMBL4398158

SCHEMBL4398158

c1ccc(N(c2ccc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc(-c5cccc6ccccc56)ccc43)cc2)c2cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
ACMSD Q8TDX5 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
NTSR1 P30989 2/20 0.34
TLR4 O00206 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
PPARG P37231 5/20 0.32
PPARA Q07869 5/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL4400212 0.97 MCL1 (0.41) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL4400908 0.96 MCL1 (0.40) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL10819234 0.96 MCL1 (0.40) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL12704945 0.96 MCL1 (0.39) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL4400889 0.95 MCL1 (0.38) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL4404931 0.95 MCL1 (0.40) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL12704850 0.95 MCL1 (0.39) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL13620212 0.95 MCL1 (0.39) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL4402285 0.94 MCL1 (0.39) MCL1ACMSDKDM4EATML3MBTL1
SCHEMBL4400887 0.94 MCL1 (0.40) MCL1ACMSDKDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8704242-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-04-22 US disclosed
US-8704242-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-04-22 US disclosed
US-20120181523-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-19 US disclosed
US-20120181523-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-19 US disclosed
US-8178885-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178885-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20100308319-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-12-09 US disclosed
US-20100308319-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-12-09 US disclosed
US-7795449-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-14 US disclosed
US-7795449-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-14 US disclosed
US-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-18 US disclosed
US-7442803-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-10-28 US disclosed
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-05-03 US disclosed
WO-2007046486-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-04-26 WO 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-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 MCL1 4197/4885ACMSD 1535/4885KDM4E 1642/4885
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 MCL1 4197/4885ACMSD 1535/4885KDM4E 1642/4885

“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.