SCHEMBL5646592

SCHEMBL5646592

COC(=O)c1c2c(c3cc(OC)c4ccccc4c3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc3c(c1)CC(C)O3)C=C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
EIF4A1 P60842 3/20 0.34
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PDE2A O00408 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL5648211 0.88
SCHEMBL29565467 0.88
SCHEMBL8978547 0.85 RAB9A (0.39) RAB9AEIF4A1ALDH1A1CYP3A4CYP2C19
SCHEMBL5646759 0.85 RAB9A (0.38) RAB9AEIF4A1ALDH1A1CYP3A4CYP2C19
SCHEMBL5643452 0.84 SMN1; SMN2 (0.38) RAB9AALDH1A1KDM4E
SCHEMBL7787523 0.82 RAB9A (0.34) RAB9AEIF4A1ALDH1A1CYP3A4TSHR
SCHEMBL6131950 0.80 L3MBTL1 (0.41) EIF4A1ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL8978536 0.79 ALDH1A1 (0.36) RAB9AALDH1A1TDP1KDM4EGAA
SCHEMBL6169985 0.79 L3MBTL1 (0.43) RAB9AEIF4A1ALDH1A1CYP3A4CYP2C19
SCHEMBL5648078 0.78 SIGMAR1 (0.32) RAB9AEIF4A1ALDH1A1CYP3A4TSHR

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 11 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-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP claimed
EP-0801750-A4 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES INC (US) 1997-12-10 EP claimed
EP-0801750-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1997-10-22 EP 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-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP disclosed
EP-0801750-A4 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES INC (US) 1997-12-10 EP disclosed
EP-0801750-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1997-10-22 EP disclosed
US-5514817-A PHOTOCHROMIC PPG INDUSTRIES, INC. (US) 1996-05-07 US disclosed