SCHEMBL780906

SCHEMBL780906

c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8oc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)cc7n(-c7cc8ccccc8c8ccccc78)c6c5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HTR6 P50406 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PTGES O14684 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL781311 0.98 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19GPR84HSD17B1
SCHEMBL780999 0.92 GPR84 (0.33) CYP1A2CYP2C9CYP2C19GPR84HTR6
SCHEMBL781282 0.92 GPR84 (0.34) CYP1A2CYP2C9CYP2C19GPR84HSD17B1
SCHEMBL780902 0.91 PLA2G2A (0.34) CYP1A2CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL781434 0.89 PLA2G2A (0.33) CYP1A2CYP2C9CYP2C19ALOX5KDM4E
SCHEMBL781054 0.88 ALOX5 (0.38) CYP1A2CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL781013 0.86 ALOX5 (0.36) CYP1A2CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL780654 0.84 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19GPR84HSD17B1
SCHEMBL781088 0.84 PLA2G2A (0.33) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL781456 0.83 PLA2G2A (0.34) HTR6ALOX5KDM4EALDH1A1MAPT

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 CYP1A2 374/4885CYP2C9 391/4885CYP2C19 174/4885
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 CYP1A2 374/4885CYP2C9 391/4885CYP2C19 174/4885

“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.