SCHEMBL17827462

SCHEMBL17827462

c1ccc(C2(c3cccc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4)c3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
DUSP3 P51452 1/20 0.30

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
SCHEMBL17827455 1.00 CA12 (0.35) CA12CA1CA2CA9CHRNA1
SCHEMBL18968988 0.95 CA12 (0.34) CA12CA1CA2CA9CHRNA1
SCHEMBL17827454 0.94 MMP12 (0.33) MMP12MMP13
SCHEMBL17827459 0.94 MMP12 (0.33) MMP12MMP13
SCHEMBL17827475 0.94 MMP12 (0.33) MMP12MMP13
SCHEMBL17827464 0.94 MMP12 (0.33) MMP12MMP13
SCHEMBL18969068 0.94 CA12 (0.33) CA12CA1CA2CA9CHRNA1
SCHEMBL18326164 0.93 CA12 (0.34) CA12CA1CA2CA9CHRNA1
SCHEMBL23237208 0.93 CHRNA1 (0.33) CA12CA1CA2CA9CHRNA1
SCHEMBL18118690 0.93 CA12 (0.32) CA12CA1CA2CA9CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929355-B2 Amine compound and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-27 US disclosed
US-9929355-B2 Amine compound and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-27 US disclosed
US-20160172593-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 US disclosed
US-20160172593-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 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 (1 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-20160172593-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AOC2, SAT1, ODC1 CA12 3369/4885CA1 2751/4885CA2 3054/4885

“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.