SCHEMBL9890836

SCHEMBL9890836

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5cccc6c5oc5ccccc56)ccc34)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
PRKDC P78527 2/20 0.46
GGPS1 O95749 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
AHR P35869 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR1 P21453 1/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL9890838 0.91 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL9890845 0.91 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL9890837 0.90 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL10442467 0.89 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL10442957 0.88 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL10442952 0.88 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL9890830 0.87 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL9890831 0.85 GPR84 (0.41) MAPTALDH1A1GPR84S1PR1
SCHEMBL10442953 0.85 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL18022276 0.85 ALOX5 (0.56) ALOX5PRKDCGGPS1PTGES2MAPT

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 4779/4885GGPS1 2083/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 ALOX5 775/4885PRKDC 4739/4885GGPS1 548/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 ALOX5 1264/4885PRKDC 4832/4885GGPS1 778/4885

“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.