SCHEMBL12380281

SCHEMBL12380281

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ AHR P35869 2/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HSD17B3 P37058 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
SCHEMBL12380324 0.97 ALDH1A1 (0.41) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL12380317 0.96 ALDH1A1 (0.38) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL9920793 0.96 ALDH1A1 (0.36) MAPTALDH1A1GPR84HPGDCYP1A1
SCHEMBL12380293 0.96 AHR (0.38) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL12380334 0.96 ALDH1A1 (0.34) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL12380308 0.95 MAPT (0.38) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL12380283 0.94 ALDH1A1 (0.38) MAPTALDH1A1AHRGPR84MEN1
SCHEMBL9920795 0.94 ALDH1A1 (0.39) MAPTALDH1A1GPR84MEN1KMT2A
SCHEMBL12380290 0.93 HSP90AA1 (0.38) MAPTALDH1A1AHRMEN1KMT2A
SCHEMBL12380307 0.92 ALDH1A1 (0.39) MAPTALDH1A1AHRGPR84MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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