SCHEMBL9921092

SCHEMBL9921092

CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4)cc(-c4cccc5ccccc45)c4ccc(c1)c2c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
PPARG P37231 5/20 0.32
PPARA Q07869 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSPO P30536 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARD Q03181 1/20 0.31
PTGES O14684 1/20 0.31
SLC6A9 P48067 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
SCHEMBL9920978 0.94 PPARG (0.33) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9921072 0.93 TSPO (0.35) PPARGALDH1A1MAPTMAPK1NPSR1
SCHEMBL21234908 0.93 KDM4E (0.36) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9920914 0.90 KDM4E (0.35) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9920972 0.90 KDM4E (0.39) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9920850 0.89 ALDH1A1 (0.35) PPARGALDH1A1MAPTMAPK1NPSR1
SCHEMBL9920913 0.89 KDM4E (0.36) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9920971 0.89 KDM4E (0.40) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL9920654 0.89 FLT3 (0.35) ALKPPARGPPARAALDH1A1MAPT
SCHEMBL9920811 0.88 ERBB2 (0.35) PPARGPPARAALDH1A1MAPTMAPK1

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 8 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
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-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463352-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 ALK 624/4885CA12 4058/4885CA1 3643/4885

“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.