SCHEMBL9890847

SCHEMBL9890847

c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
GPR3 P46089 1/20 0.52
PARP14 Q460N5 1/20 0.51
PRKDC P78527 8/20 0.42
MAPT P10636 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRDT Q58F21 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 1/20 0.37

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
SCHEMBL21450764 0.98 ALOX5 (0.54) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL23427866 0.93 ALOX5 (0.50) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL21450758 0.93 ALOX5 (0.58) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL17539967 0.93 PARP14 (0.50) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL124825 0.91 ALOX5 (0.49) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL30002880 0.91 ALOX5 (0.49) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL126450 0.91 ALOX5 (0.53) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL21377249 0.91 ALOX5 (0.49) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL21450771 0.91 ALOX5 (0.56) ALOX5GPR3PARP14PRKDCMAPT
SCHEMBL10029291 0.90 ALOX5 (0.54) ALOX5GPR3PARP14PRKDCMAPT

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 1396/4885GPR3 2554/4885PARP14 1666/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 ALOX5 775/4885GPR3 809/4885PARP14 2404/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 ALOX5 1264/4885GPR3 2087/4885PARP14 458/4885

“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.