SCHEMBL781013

SCHEMBL781013

c1ccc(-c2cccc3c2oc2c(-c4ccc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5c4)cccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PRKDC P78527 8/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
BRD4 O60885 2/20 0.34
BRD2 P25440 2/20 0.34
BRD3 Q15059 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE2A O00408 1/20 0.34
PIK3C2A O00443 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3C2B O00750 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL781054 0.98 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL781289 0.93 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL781205 0.91 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL781071 0.90 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBCYP1A2
SCHEMBL781311 0.89 CYP1A2 (0.33) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL781076 0.87 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL780906 0.86 CYP1A2 (0.34) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL780867 0.85 ALOX5 (0.37) ALOX5PRKDCALDH1A1CYP1A2CYP2C9
SCHEMBL23118683 0.84 CYP1A2 (0.38) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL780999 0.83 GPR84 (0.33) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19

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 1162/4885PRKDC 3567/4885PIK3CD 3215/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 ALOX5 1162/4885PRKDC 3567/4885PIK3CD 3215/4885

“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.