SCHEMBL13620212

SCHEMBL13620212

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-c8cccc9ccccc89)cc7c7cc(-c8cccc9ccccc89)ccc76)cc5)cc4)cc3)cc2)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
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NTSR1 P30989 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSPO P30536 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PDE6D O43924 1/20 0.33
TLR4 O00206 1/20 0.33
ALK Q9UM73 1/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12704850 1.00 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL12704945 0.99 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL4402285 0.96 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL4400908 0.96 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL10819234 0.96 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL13620213 0.96 CA12 (0.42) MCL1ACMSDCA12CA1CA2
SCHEMBL4400889 0.95 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL14849429 0.95 CA12 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL4400212 0.95 MCL1 (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL21587150 0.95 CA12 (0.40) MCL1ACMSDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852758-B2 Aromatic amine compound, and light-emitting element, light-emitting device, and electronic device using the aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-07 US disclosed
US-8852758-B2 Aromatic amine compound, and light-emitting element, light-emitting device, and electronic device using the aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-07 US disclosed
US-20130076237-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Aromatic Amine Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-28 US disclosed
US-20130076237-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Aromatic Amine Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-28 US disclosed
US-8318322-B2 Aromatic amine compound, and light-emitting element, light-emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-27 US disclosed
US-8318322-B2 Aromatic amine compound, and light-emitting element, light-emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-27 US disclosed
US-20090284143-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Aromatic Amine Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284143-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Aromatic Amine Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (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-20130076237-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Aromatic Amine Compound TYR, PAH, NAT1 MCL1 4105/4885ACMSD 644/4885CA12 4329/4885
US-20090284143-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Aromatic Amine Compound TYR, PAH, NAT1 MCL1 4048/4885ACMSD 589/4885CA12 4345/4885

“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.