SCHEMBL5024477

SCHEMBL5024477

COc1cc2c(OC(C)=O)c(-c3ccccc3)c3c(c2cc1OC)-c1ccccc1C3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BACE1 P56817 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HK2 P52789 1/20 0.43
TTR P02766 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL1961589 0.76 TNFSF11 (0.50) PDE4DMAPTKDM4EALDH1A1BACE1
SCHEMBL27867460 0.75 BACE1 (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1011142 0.75 TTR (0.48) PDE4DMAPTKDM4EALDH1A1BACE1
SCHEMBL9629480 0.74 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL27883690 0.74 BACE1 (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12581678 0.72 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL31435276 0.71 KDM4E (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1332988 0.71 KDM4E (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5599610 0.71 WHR1 (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10503628 0.70 ABCB11 (0.64) PDE4APDE4BPDE4CPDE4DMAPT

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
EP-1872173-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-01-02 EP disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed