SCHEMBL5872244

SCHEMBL5872244

C#Cc1c(-c2ccccc2)ccc(Oc2cc(Oc3ccc(-c4ccccc4)c(C#C)c3C#Cc3ccccc3)cc(Oc3ccc(-c4ccccc4)c(C#C)c3C#Cc3ccccc3)c2)c1C#Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 2/20 0.31
TTR P02766 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL5414550 0.72 PTGDR2 (0.44) APPNCOA1NCOA3PTGDR2L3MBTL1
SCHEMBL5872241 0.70 MAPT (0.42) APPPTGDR2MEN1ALDH1A1CYP1A2
SCHEMBL5414554 0.69 CYP19A1 (0.35) NCOA1NCOA3L3MBTL1MEN1ALDH1A1
SCHEMBL6686859 0.68 APP (0.41) APPPTGDR2MEN1ALDH1A1CYP1A2
SCHEMBL7130177 0.68 FFAR1 (0.46) APPMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL2747318 0.68 FFAR1 (0.42) APPPTGDR2MEN1ALDH1A1CYP1A2
SCHEMBL2746036 0.68 APP (0.38) APPMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL10868280 0.68 GRM5 (0.41) APPPTGDR2CYP1A2GRM5ASIC3
SCHEMBL5183978 0.65 APP (0.38) APPCYP1A2GRM5
SCHEMBL31447556 0.65 CYP19A1 (0.39) L3MBTL1MEN1ALDH1A1CYP1A2CYP2C9

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-7049386-B2 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. (US) 2006-05-23 US disclosed
EP-1309639-A4 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INT INC (US) 2004-12-08 EP disclosed
US-6803441-B2 INCORPORATING THERMOSETTING MONOMER HAS A CAGE COMPOUND OR ARYL CORE STRUCTURE, PLURALITY OF ARMS THAT ARE COVALENTLY BOUND TO THE CAGE COMPOUND OR CORE STRUCTURE INTO A POLYMER TO FORM THE LOW DIELECTRIC CONSTANT POLYMER HONEYWELL INTERNATIONAL INC. 2004-10-12 US disclosed
US-20040192870-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER S (US) 2004-09-30 US disclosed
WO-2004000909-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-12-31 WO disclosed
US-20030096938-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER (US) 2003-05-22 US disclosed
EP-1309639-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS Honeywell International, Inc. (US) 2003-05-14 EP disclosed
US-20030060590-A1 Producing a low dielectric constant polymer from a thermosetting monomer that has a cage compound or aryl core structure, which is covalently bound to a plurality of arms that contain acetylenic groups HONEYWELL INTERNATIONAL INC. 2003-03-27 US disclosed
US-6469123-B1 THERMOSETTING MONOMER IS INCORPORATED INTO A POLYMER TO FORM THE LOW DIELECTRIC CONSTANT POLYMER; CAGE COMPOUNDS AND CORE STRUCTURES INCLUDE ADAMANTANE, DIAMANTANE, SILICON, A PHENYL GROUP AND A SEXIPHENYLENE HONEYWELL INTERNATIONAL INC. 2002-10-22 US disclosed
US-20020022708-A1 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. 2002-02-21 US disclosed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 WO disclosed