SCHEMBL5872241

SCHEMBL5872241

C(#Cc1cccc(Oc2cc(Oc3cccc(C#Cc4ccccc4)c3C#Cc3ccccc3)cc(Oc3cccc(C#Cc4ccccc4)c3C#Cc3ccccc3)c2)c1C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.40
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
RAB9A P51151 1/20 0.37
DHFR P00374 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL5872247 0.84 MAPT (0.50) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL2746036 0.81 APP (0.38) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL6686859 0.78 APP (0.41) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL3797526 0.78 APP (0.60) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL6742524 0.77 MAPT (0.53) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL8735834 0.77 APP (0.40) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL3839249 0.74 MAPT (0.59) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL14892584 0.73 MAPT (0.39) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL14893083 0.72 NPC1 (0.38) MAPTNPC1MEN1ALDH1A1CYP1A2
SCHEMBL14893084 0.72 NPC1 (0.38) MAPTNPC1MEN1ALDH1A1CYP1A2

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