SCHEMBL780968

SCHEMBL780968

c1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PRKDC P78527 9/20 0.40
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRDT Q58F21 1/20 0.34
PARP14 Q460N5 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PIM3 Q86V86 1/20 0.31
F9 P00740 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
MAPK14 Q16539 1/20 0.30
LIMK1 P53667 1/20 0.30
S1PR4 O95977 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
SCHEMBL780552 0.98 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL459683 0.91 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL459522 0.90 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL780771 0.90 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL780947 0.90 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL780837 0.90 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427702 0.90 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427297 0.90 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427444 0.89 ALOX5 (0.37) ALOX5PRKDCPIM3LIMK1
SCHEMBL780727 0.89 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160380211-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-12-29 US disclosed
US-9450188-B2 Carbazole derivative, light-emitting element material and organic semiconductor material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-20 US disclosed
US-9450188-B2 Carbazole derivative, light-emitting element material and organic semiconductor material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-20 US disclosed
US-8642782-B2 Carbazole derivative, light-emitting element material and organic semiconductor material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-02-04 US disclosed
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-22 US disclosed
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-22 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-20160380211-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 ALOX5 1162/4885PRKDC 3567/4885PIK3CD 3215/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 ALOX5 1162/4885PRKDC 3567/4885PIK3CD 3215/4885

“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.