SCHEMBL9890852

SCHEMBL9890852

CC(C)(C)c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP14 Q460N5 1/20 0.38
PRKDC P78527 6/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APEX1 P27695 1/20 0.34
KIF11 P52732 2/20 0.33
GPR3 P46089 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL23427786 0.89 ALOX5 (0.55) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL23427114 0.88 ALOX5 (0.41) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL9890849 0.87 ALOX5 (0.45) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL9890850 0.87 ALOX5 (0.48) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL23427774 0.87 ALOX5 (0.56) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL9890851 0.87 ALOX5 (0.43) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL23428270 0.85 ALOX5 (0.43) ALOX5PARP14PRKDC
SCHEMBL23427864 0.85 ALOX5 (0.51) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL23427168 0.85 ALOX5 (0.51) ALOX5TNKSTNKS2PARP14PRKDC
SCHEMBL23427973 0.85 ALOX5 (0.51) ALOX5TNKSTNKS2PARP14PRKDC

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 1396/4885TNKS 1358/4885TNKS2 1293/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 ALOX5 775/4885TNKS 2693/4885TNKS2 2935/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 ALOX5 1264/4885TNKS 2936/4885TNKS2 3097/4885

“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.