SCHEMBL2114742

SCHEMBL2114742

C(#Cc1ccccc1C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.75
NPC1 O15118 4/20 0.68
CYP1A2 P05177 4/20 0.68
CYP3A4 P08684 4/20 0.68
CYP2C9 P11712 4/20 0.68
CYP2C19 P33261 4/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 3/20 0.68
HPGD P15428 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 3/20 0.56
CA12 O43570 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
GRM5 P41594 2/20 0.50
CYP2D6 P10635 2/20 0.47

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
SCHEMBL5871989 1.00 APP (0.75) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL10437173 0.87 APP (0.57) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2747094 0.87 APP (0.57) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL15009036 0.87 APP (0.57) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL4844706 0.87 APP (0.57) APPNPC1CYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL29188592 0.87 APP (1.00) APPNPC1CYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL960609 0.87 APP (1.00) APPNPC1CYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL68254 0.87 APP (1.00) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1666085 0.86 APP (0.63) APPNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL28752319 0.85 FFAR1 (0.56) APPNPC1CYP1A2CYP3A4CYP2C9

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369725-B1 Optical fibre cable comprising a hydrogen absorbing composition ALCATEL LUCENT (FR) 2008-11-19 EP claimed
US-6845199-B2 Optical fiber cable including a hydrogen-absorbing composition ALCATEL (FR) 2005-01-18 US claimed
EP-1309639-A4 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INT INC (US) 2004-12-08 EP claimed
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 claimed
US-20040192870-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER S (US) 2004-09-30 US claimed
US-20040037520-A1 Optical fiber cable including a hydrogen-absorbing ALCATEL 2004-02-26 US claimed
EP-1369725-A1 Optical fibre cable comprising a hydrogen absorbing composition ALCATEL (FR) 2003-12-10 EP claimed
US-20030096938-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER (US) 2003-05-22 US claimed
EP-1309639-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS Honeywell International, Inc. (US) 2003-05-14 EP claimed
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 claimed
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 claimed
WO-2002015216-A1 HYDROGEN SCAVENGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-02-21 WO claimed
US-20020022708-A1 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. 2002-02-21 US claimed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 WO claimed
US-20240352182-A1 POLYMERS AND CO-POLYMERS FOR POLYMER MATRIX COMPOSITES AND HIGH YIELD CARBON-CARBON COMPOSITE STRUCTURES THEREFROM MISSISSIPPI STATE UNIVERSITY 2024-10-24 US disclosed
US-20240290566-A1 IMPLANTABLE MEDICAL DEVICE SELECTIVE ENCAPSULATION CARDIAC PACEMAKERS, INC. (US) 2024-08-29 US disclosed
CN-117203307-A Liquid-crystalline medium 默克专利股份有限公司 2023-12-08 CN disclosed
WO-1999048125-A1 POLYMER FORMULATIONS FOR GETTERING HYDROGEN SANDIA CORPORATION (US) 1999-09-23 WO disclosed
US-5443657-A Power source using a photovoltaic array and self-luminous microspheres UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE DIRECTOR OF THE NATIONAL SECURITY AGENCY 1995-08-22 US disclosed
US-4082806-A PREPARATION OF TETRAKETONES WRIGHT STATE UNIVERSITY (US) 1978-04-04 US disclosed