SCHEMBL780697

SCHEMBL780697

c1ccc(-c2cccc3c2sc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc6cccc7ccc4c5c67)cccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.36
CYP1B1 Q16678 3/20 0.36
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 3/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
LIMK1 P53667 1/20 0.34
PRKDC P78527 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
PTGES O14684 1/20 0.31
PDE6D O43924 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL780940 0.98 CYP1A1 (0.37) CYP1A1CYP1B1ALOX5CYP1A2ERBB2
SCHEMBL780725 0.93 CYP1A1 (0.34) CYP1A1CYP1B1CYP1A2ERBB2FYN
SCHEMBL780885 0.90 ALOX5 (0.47) CYP1A1CYP1B1ALOX5CYP1A2ERBB2
SCHEMBL780959 0.89 CYP1A1 (0.33) CYP1A1CYP1B1CYP1A2ERBB2FYN
SCHEMBL780616 0.88 ALOX5 (0.49) CYP1A1CYP1B1ALOX5CYP1A2ERBB2
SCHEMBL781115 0.86 PIK3CD (0.35) CYP1A1CYP1B1ALOX5CYP1A2ERBB2
SCHEMBL780955 0.85 ALOX5 (0.33) CYP1A1CYP1B1ALOX5LIMK1PRKDC
SCHEMBL780773 0.83 ALOX5 (0.47) ALOX5CYP1A2ERBB2FYNMAOA
SCHEMBL781325 0.83 PIK3CD (0.36) CYP1A1CYP1B1ALOX5CYP1A2ERBB2
SCHEMBL780841 0.83 ALOX5 (0.37) CYP1A1CYP1B1ALOX5CYP1A2LIMK1

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 7 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-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 CYP1A1 231/4885CYP1B1 262/4885ALOX5 1162/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 CYP1A1 231/4885CYP1B1 262/4885ALOX5 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.