SCHEMBL9921045

SCHEMBL9921045

CC(C)(C)c1cccc(-c2ccc3ccc4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
PTAFR P25105 1/20 0.33
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
OPRD1 P41143 3/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9921042 0.94 KDM4E (0.36) KIF11PTAFRERBB2CYP1A2FYN
SCHEMBL9921082 0.91 KDM4E (0.36) KIF11PTAFRKDM4EATML3MBTL1
SCHEMBL9920764 0.91 ALDH1A1 (0.38) KIF11PTAFROPRD1RXRARXRB
SCHEMBL9920776 0.89 KDM4E (0.36) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL9920957 0.89 KDM4E (0.35) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL9920969 0.88 KDM4E (0.36) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL9920739 0.87 KDM4E (0.35) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL9921054 0.86 L3MBTL1 (0.42) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL9920732 0.86 ALDH1A1 (0.39) KIF11KDM4EATML3MBTL1OPRD1
SCHEMBL9939220 0.85 KIF11 (0.33) KIF11PTAFRABCG2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 EP disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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 (1 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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 KIF11 3191/4885PTAFR 3437/4885ERBB2 1411/4885

“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.