SCHEMBL781806

SCHEMBL781806

c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6oc6c(-c8ccc9ccccc9c8)cccc67)cc5c5cc(-c6cccc7c6oc6c(-c8ccc9ccccc9c8)cccc67)ccc54)cc3)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.42
GPR84 Q9NQS5 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
EDNRA P25101 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GSTP1 P09211 1/20 0.33
EDNRB P24530 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL781313 0.98 PRKDC (0.41) PRKDCGPR84ALOX5HDAC4HDAC2
SCHEMBL781298 0.93 PRKDC (0.36) PRKDCGPR84ALOX5ALDH1A1MAPT
SCHEMBL781296 0.93 ALOX5 (0.36) PRKDCALOX5ALDH1A1MAPTEDNRA
SCHEMBL781587 0.93 ALOX5 (0.45) PRKDCGPR84ALOX5HDAC4HDAC2
SCHEMBL781195 0.92 ALOX5 (0.39) PRKDCALOX5ALDH1A1EDNRAEDNRB
SCHEMBL781301 0.91 PRKDC (0.35) PRKDCGPR84ALOX5ALDH1A1MAPT
SCHEMBL781819 0.91 KDM4E (0.36) PRKDCALOX5HDAC4ALDH1A1MAPT
SCHEMBL781170 0.91 ALOX5 (0.36) PRKDCGPR84ALOX5ALDH1A1MAPT
SCHEMBL781366 0.91 ALOX5 (0.39) PRKDCALOX5ALDH1A1EDNRAEDNRB
SCHEMBL781497 0.90 PRKDC (0.41) PRKDCALOX5ALDH1A1EDNRAEDNRB

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-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-20140145175-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-29 US disclosed
US-20140145175-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-29 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-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 PRKDC 3567/4885GPR84 3286/4885ALOX5 1162/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 PRKDC 3567/4885GPR84 3286/4885ALOX5 1162/4885

“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.