SCHEMBL5650291

SCHEMBL5650291

COC(=O)c1cc2c3c(ccc2cc1OC)OC(c1ccc(OC)cc1)(c1ccc2c(c1)CC(C)O2)C=C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HIF1A Q16665 2/20 0.33
EIF4A1 P60842 1/20 0.32
ACHE P22303 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MTNR1A P48039 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL1387468 0.79 HIF1A (0.36) ALDH1A1KDM4EHIF1AEIF4A1ACHE
SCHEMBL1387238 0.78 HIF1A (0.34) RAB9AGAAALDH1A1KDM4EHIF1A
SCHEMBL1333813 0.78 HIF1A (0.34) ALDH1A1KDM4EHIF1AEIF4A1ACHE
SCHEMBL5667048 0.78 MAPT (0.40) RAB9AGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL8978547 0.77 RAB9A (0.39) RAB9ATDP1ALDH1A1GABRA1GABRB2
SCHEMBL8727667 0.77 GABRA1 (0.34) RAB9ATDP1GAAALDH1A1KDM4E
SCHEMBL5646759 0.76 RAB9A (0.38) RAB9ATDP1ALDH1A1KDM4EGABRA1
SCHEMBL5644893 0.76 HIF1A (0.35) RAB9AGAAALDH1A1KDM4EHIF1A
SCHEMBL1387201 0.75 POLB (0.40) TDP1ALDH1A1KDM4EHIF1AMEN1
SCHEMBL5646592 0.74 RAB9A (0.34) RAB9ATDP1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US claimed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US claimed
EP-0805993-A4 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1999-03-03 EP claimed
EP-0805993-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-11-12 EP claimed
WO-1997020239-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-05 WO claimed
US-5578252-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1996-11-26 US claimed
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US disclosed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US disclosed
EP-0805993-A4 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1999-03-03 EP disclosed
EP-0805993-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-11-12 EP disclosed
WO-1997020239-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-05 WO disclosed
US-5578252-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1996-11-26 US disclosed