SCHEMBL780711

SCHEMBL780711

c1ccc2c(c1)ccc1c3ccccc3c(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PRKDC P78527 8/20 0.42
TDP1 Q9NUW8 1/20 0.36
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
PARP14 Q460N5 1/20 0.34
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
HPRT1 P00492 3/20 0.32
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 2/20 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
SCHEMBL780683 0.98 ALOX5 (0.47) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL780587 0.92 ALOX5 (0.52) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL780768 0.90 ALOX5 (0.50) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL19132166 0.86 ALOX5 (0.46) ALOX5CYP1A2PRKDCCYP1A1CYP1B1
SCHEMBL15856996 0.85 ALOX5 (0.61) ALOX5CYP1A2PRKDCTDP1CYP1A1
SCHEMBL780864 0.85 ALOX5 (0.50) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL780617 0.85 ALOX5 (0.50) ALOX5CYP1A2PRKDCCYP1A1CYP1B1
SCHEMBL780866 0.85 ALOX5 (0.46) ALOX5PRKDCCYP1B1PARP14PIK3CD
SCHEMBL780826 0.85 ALOX5 (0.52) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL781056 0.85 ALOX5 (0.52) ALOX5PRKDCPARP14PIK3CDPIK3CB

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 ALOX5 1162/4885CYP1A2 374/4885CYP2C9 391/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 ALOX5 1162/4885CYP1A2 374/4885CYP2C9 391/4885

“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.