SCHEMBL9890860

SCHEMBL9890860

CC(C)(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3cccc4c3sc3ccccc34)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.39
ALOX5 P09917 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRDT Q58F21 1/20 0.37
PARP14 Q460N5 1/20 0.34
ESR2 Q92731 1/20 0.34
KIF11 P52732 1/20 0.33
GGPS1 O95749 1/20 0.32
APEX1 P27695 1/20 0.32
PGR P06401 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL9890829 0.88 ALOX5 (0.46) PRKDCALOX5KIF11GGPS1PGR
SCHEMBL9890849 0.88 ALOX5 (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL2250911 0.88 ALOX5 (0.46) PRKDCALOX5KIF11GGPS1PGR
SCHEMBL9890859 0.86 ALOX5 (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL29306842 0.85 ALOX5 (0.44) PRKDCALOX5KIF11GGPS1PGR
SCHEMBL9890834 0.82 ALOX5 (0.43) PRKDCALOX5KIF11GGPS1PGR
SCHEMBL9890851 0.82 ALOX5 (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL13513250 0.81 ALOX5 (0.40) PRKDCALOX5KIF11GGPS1PGR
SCHEMBL2257243 0.81 ALOX5 (0.40) PRKDCALOX5PIK3CDPIK3CBKIF11
SCHEMBL12203323 0.80 ALOX5 (0.40) PRKDCALOX5PIK3CDPIK3CBKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 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 (3 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 PRKDC 4779/4885ALOX5 1396/4885PIK3CD 4855/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 PRKDC 4739/4885ALOX5 775/4885PIK3CD 4808/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 PRKDC 4832/4885ALOX5 1264/4885PIK3CD 4866/4885

“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.