SCHEMBL781140

SCHEMBL781140

c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c(-c8ccc9c(ccc%10ccccc%109)c8)cccc67)ccc54)cc3)c3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALOX5 P09917 2/20 0.33
SOS1 Q07889 1/20 0.33
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR4 O95977 1/20 0.30
NTSR1 P30989 1/20 0.30
LIMK1 P53667 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
SCHEMBL780945 0.98 CYP1A1 (0.35) KDM4EATML3MBTL1CYP1A1CYP1B1
SCHEMBL780938 0.96 KDM4E (0.36) KDM4EATML3MBTL1CYP1A1CYP1B1
SCHEMBL780896 0.94 KDM4E (0.36) KDM4EATML3MBTL1ALOX5KMT2A
SCHEMBL780929 0.94 ALOX5 (0.36) KDM4EATML3MBTL1CYP1A1CYP1B1
SCHEMBL781302 0.92 KDM4E (0.35) KDM4EATML3MBTL1ALOX5KMT2A
SCHEMBL780858 0.92 KDM4E (0.36) KDM4EATML3MBTL1CYP1A1CYP1B1
SCHEMBL780924 0.91 S1PR5 (0.37) KDM4EATML3MBTL1ALOX5S1PR5
SCHEMBL781304 0.91 ALOX5 (0.43) CYP1A1CYP1B1ALOX5SOS1HSD17B1
SCHEMBL458003 0.90 L3MBTL1 (0.41) KDM4EATML3MBTL1ALOX5KMT2A
SCHEMBL780944 0.89 ALOX5 (0.34) KDM4EATML3MBTL1ALOX5KMT2A

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 KDM4E 3917/4885ATM 2271/4885L3MBTL1 947/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 KDM4E 3917/4885ATM 2271/4885L3MBTL1 947/4885

“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.