SCHEMBL780725

SCHEMBL780725

c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ERBB2 P04626 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
LIMK1 P53667 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL780959 0.97 CYP1A1 (0.33) CYP1A1CYP1B1ERBB2CYP1A2FYN
SCHEMBL780697 0.93 CYP1A1 (0.36) CYP1A1CYP1B1ERBB2CYP1A2FYN
SCHEMBL780955 0.92 ALOX5 (0.33) CYP1A1CYP1B1LIMK1
SCHEMBL780940 0.90 CYP1A1 (0.37) CYP1A1CYP1B1ERBB2CYP1A2FYN
SCHEMBL780961 0.89 LIMK1 (0.33) CYP1A1CYP1B1LIMK1
SCHEMBL781042 0.85 CYP19A1 (0.33) CYP1A1CYP1B1ERBB2CYP1A2FYN
SCHEMBL780885 0.83 ALOX5 (0.47) CYP1A1CYP1B1ERBB2CYP1A2FYN
SCHEMBL780572 0.83 TSPO (0.32) CYP1A2LIMK1KDM4EALDH1A1KMT2A
SCHEMBL781533 0.82 CYP19A1 (0.34) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24478798 0.82 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE

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 10 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
WO-2012039262-A1 CARBAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT MATERIAL AND ORGANIC SEMICONDUCTOR MATERIAL SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-29 WO 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 CYP1A1 231/4885CYP1B1 262/4885ERBB2 2235/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 CYP1A1 231/4885CYP1B1 262/4885ERBB2 2235/4885

“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.