SCHEMBL13620213

SCHEMBL13620213

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)cc7c7cc(-c8ccc(-c9cccc%10ccccc9%10)cc8)ccc76)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALK Q9UM73 1/20 0.36
TSPO P30536 1/20 0.36
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNF P01375 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 6/20 0.34
SLC6A9 P48067 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PPARD Q03181 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
SCHEMBL15138349 0.99 CA12 (0.43) CA12CA1CA2CA9ALK
SCHEMBL21587150 0.99 CA12 (0.40) CA12CA1CA2CA9ALK
SCHEMBL2789128 0.98 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL13803731 0.98 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL19007803 0.98 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL13803844 0.98 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL2775076 0.98 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL13803843 0.96 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL13803726 0.96 CA12 (0.41) CA12CA1CA2CA9ALK
SCHEMBL13803396 0.96 CA12 (0.41) CA12CA1CA2CA9ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 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-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 CA12 4329/4885CA1 4497/4885CA2 4531/4885
US-20090284143-A1 Aromatic Amine Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Aromatic Amine Compound TYR, PAH, NAT1 CA12 4345/4885CA1 4514/4885CA2 4553/4885

“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.