SCHEMBL4400917

SCHEMBL4400917

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)cc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
CYP2D6 P10635 1/20 0.35
PPARG P37231 4/20 0.35
PTGES O14684 2/20 0.35
DNMT1 P26358 3/20 0.34
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.33
SERPINE1 P05121 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
KCNH2 Q12809 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
SCHEMBL12704953 0.97 PGR (0.38) PGRRORARORCRORBCYP2D6
SCHEMBL12582786 0.97 PGR (0.38) PGRRORARORCRORBCYP2D6
SCHEMBL4400100 0.96 PGR (0.34) PGRRORARORCRORBCYP2D6
SCHEMBL4402869 0.96 PPARG (0.36) PGRRORARORCRORBCYP2D6
SCHEMBL12704856 0.96 PGR (0.37) PGRRORARORCRORBCYP2D6
SCHEMBL13620204 0.96 PGR (0.37) PGRRORARORCRORBCYP2D6
SCHEMBL4400205 0.96 PGR (0.39) PGRRORARORCRORBCYP2D6
SCHEMBL22017426 0.95 PGR (0.38) PGRRORARORCRORBCYP2D6
SCHEMBL4400899 0.94 PPARG (0.35) PGRRORARORCRORBCYP2D6
SCHEMBL12559405 0.94 PGR (0.36) PGRRORARORCRORBCYP2D6

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 17 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-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
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 PGR 1594/4885RORA 958/4885RORC 1544/4885
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 PGR 1594/4885RORA 958/4885RORC 1544/4885

“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.