SCHEMBL789849

SCHEMBL789849

CC(C)(C)c1ccc2[nH]c3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.56
ALOX5 P09917 1/20 0.52
TNKS O95271 3/20 0.44
TNKS2 Q9H2K2 3/20 0.44
PARP14 Q460N5 1/20 0.38
PRKDC P78527 1/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MDH2 P40926 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL15457706 0.94 ALOX5 (0.51) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL15856995 0.89 ALOX5 (0.56) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL787967 0.88 ALOX5 (0.64) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL788677 0.87 KIF11 (0.50) KIF11ALOX5TNKSTNKS2BRD4
SCHEMBL10227366 0.86 KIF11 (0.57) KIF11ALOX5TNKSTNKS2BRD4
SCHEMBL29720834 0.86 ALOX5 (0.61) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL31664386 0.86 ALOX5 (0.61) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL457901 0.86 ALOX5 (0.61) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL789531 0.84 ALOX5 (0.56) KIF11ALOX5TNKSTNKS2PARP14
SCHEMBL10227109 0.83 KIF11 (0.60) KIF11ALOX5TNKSTNKS2BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 KIF11 1085/4885ALOX5 1162/4885TNKS 4076/4885

“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.