SCHEMBL12380334

SCHEMBL12380334

CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccc(c1)c2c34

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ AHR P35869 2/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ ALDH2 P05091 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
SCHEMBL12380281 0.96 MAPT (0.36) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL12380338 0.95 HSP90AA1 (0.37) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL12380324 0.92 ALDH1A1 (0.41) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL12380317 0.92 ALDH1A1 (0.38) ALDH1A1MAPTGPR84AHRKDM4E
SCHEMBL9920793 0.92 ALDH1A1 (0.36) ALDH1A1MAPTGPR84HPGDCYP1A1
SCHEMBL12380293 0.92 AHR (0.38) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL12380308 0.91 MAPT (0.38) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL12380283 0.90 ALDH1A1 (0.38) ALDH1A1MAPTGPR84AHRALOX5
SCHEMBL9920795 0.90 ALDH1A1 (0.39) ALDH1A1MAPTGPR84MEN1KMT2A
SCHEMBL9920935 0.89 ALOX5 (0.43) ALDH1A1MAPTGPR84ALOX5PRKDC

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
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-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-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
Send feedback