SCHEMBL9890859

SCHEMBL9890859

c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
PRKDC P78527 11/20 0.42
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
BRD4 O60885 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
KCNH2 Q12809 1/20 0.42
BRDT Q58F21 1/20 0.42
PARP14 Q460N5 1/20 0.40
ESR2 Q92731 2/20 0.36
GPR3 P46089 1/20 0.36
ESR1 P03372 1/20 0.35
GGPS1 O95749 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
SCHEMBL23426707 0.90 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427312 0.90 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19803007 0.90 PRKDC (0.50) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL24519056 0.89 PRKDC (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL21583609 0.88 PRKDC (0.49) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL24443357 0.87 PRKDC (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23426622 0.87 PRKDC (0.47) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427035 0.87 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427846 0.87 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23427219 0.87 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBBRD4

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 14 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-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
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 ALOX5 1396/4885PRKDC 4779/4885PIK3CD 4855/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 ALOX5 775/4885PRKDC 4739/4885PIK3CD 4808/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 ALOX5 1264/4885PRKDC 4832/4885PIK3CD 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.