SCHEMBL12380283

SCHEMBL12380283

CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccc5oc6ccccc6c5c4)c4ccc(c1)c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL12380319 0.97 ALDH1A1 (0.43) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380315 0.97 ALDH1A1 (0.39) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380292 0.96 HSP90AA1 (0.39) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380338 0.96 HSP90AA1 (0.37) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380314 0.95 ALDH1A1 (0.40) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380290 0.94 HSP90AA1 (0.38) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380281 0.94 MAPT (0.36) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380307 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380312 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHSP90AA1HSP90AB1KDM4E
SCHEMBL12380324 0.91 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDMEN1

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 6 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-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 — — US disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 — — US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 — — US disclosed
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