SCHEMBL5872142

SCHEMBL5872142

Oc1ccccc1C12CC3CC(C1)CC(c1ccccc1O)(C3)C2(c1ccccc1O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5AP P20292 1/20 0.35
FAAH O00519 1/20 0.34
P2RX7 Q99572 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL5898898 0.82 ALDH1A1 (0.37) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL10795627 0.78 MEN1 (0.35) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL237723 0.76 GRIN2D (0.43) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL29809124 0.75 MEN1 (0.48) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL345587 0.75 MEN1 (0.48) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL28290075 0.74 GRIN2D (0.35) ALDH1A1P2RX7LMNACYP3A4ALOX15
SCHEMBL163247 0.73 KDM4E (0.46) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL7047928 0.70
SCHEMBL12804771 0.70 KDM4E (0.39) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL3132046 0.69 ALOX5AP (0.40) MEN1KMT2AEPHX2KDM4EALDH1A1

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