SCHEMBL5101669

SCHEMBL5101669

COc1ccc2c3c(c4c(c2c1)C=CC(c1ccccc1)(c1cccc(C(F)(F)F)c1)O4)C(C)(C)c1ccccc1-3

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.31
LMNA P02545 2/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
MITF O75030 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL5094553 0.91 KDM4E (0.34) PDK2LMNACYP2C19KDM4EMEN1
SCHEMBL25607018 0.85 TP53 (0.36) PDK2LMNACYP2C19TP53AKR1C3
SCHEMBL25607020 0.84 TP53 (0.35) PDK2LMNACYP2C19TP53KDM4E
SCHEMBL25717696 0.84 KDM4E (0.36) PDK2LMNACYP2C19TP53KDM4E
SCHEMBL5108070 0.83 HCAR2 (0.31) HCAR2
SCHEMBL25717698 0.82 KDM4E (0.35) LMNACYP2C19TP53KDM4EMEN1
SCHEMBL25601058 0.80 TP53 (0.34) LMNACYP2C19TP53ALDH1A1MAOA
SCHEMBL25844739 0.80 KDM4E (0.33) LMNACYP2C19KDM4EMEN1ALDH1A1
SCHEMBL25607138 0.80 KDM4E (0.33) PDK2LMNACYP2C19TP53KDM4E
SCHEMBL25601241 0.80 PDK2 (0.32) PDK2LMNACYP2C19

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-7320826-B2 comprises 3-(4-methoxyphenyl)-3-phenyl-6,7,10,11-tetramethoxy-13-ethyl-13-hydroxy-13H-3H-indeno[2,'3,'3,4]naphtho[1,2-b]pyran; for activation via actinic radiation; improved optical density response; ophthalmic lens PPG INDUSTRIES OHIO, INC. (US) 2008-01-22 US claimed
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US claimed
US-7320826-B2 comprises 3-(4-methoxyphenyl)-3-phenyl-6,7,10,11-tetramethoxy-13-ethyl-13-hydroxy-13H-3H-indeno[2,'3,'3,4]naphtho[1,2-b]pyran; for activation via actinic radiation; improved optical density response; ophthalmic lens PPG INDUSTRIES OHIO, INC. (US) 2008-01-22 US disclosed
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US disclosed