SCHEMBL780836

SCHEMBL780836

c1ccc(-c2ccc3sc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7n(-c7cc8ccccc8c8ccccc78)c6c5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.34
ALOX5 P09917 1/20 0.34
PIM3 Q86V86 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PRKDC P78527 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
F9 P00740 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL780614 0.98 LIMK1 (0.33) LIMK1ALOX5PIM3CYP1A2CYP2C9
SCHEMBL780579 0.93 LIMK1 (0.34) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL780656 0.93 LIMK1 (0.35) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL780654 0.91 CYP1A2 (0.34) LIMK1CYP1A2CYP2C9CYP2C19HSD17B1
SCHEMBL780576 0.89 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL780635 0.84 LIMK1 (0.36) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL780572 0.84 TSPO (0.32) LIMK1CYP1A2CYP2C9CYP2C19
SCHEMBL780526 0.83 HTR6 (0.32) LIMK1CYP1A2CYP2C9CYP2C19HSD17B1
SCHEMBL10165734 0.83 LIMK1 (0.39) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL780546 0.83 LIMK1 (0.36) LIMK1ALOX5PIM3PIM1PIM2

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 LIMK1 3472/4885ALOX5 1162/4885PIM3 2594/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 LIMK1 3472/4885ALOX5 1162/4885PIM3 2594/4885

“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.