SCHEMBL1532598

SCHEMBL1532598

CC(C)=CCC/C(C)=C/C1OCCO1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
UGT1A1 P22309 1/20 0.44
SQLE Q14534 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL14548055 1.00 KMT2A (0.48) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL873529 1.00 KMT2A (0.48) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15824118 0.93 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15824117 0.93 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7137718 0.91 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6254158 0.85 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6254152 0.85 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6254150 0.85 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15823756 0.84 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15823757 0.84 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935191-B1 PREPARATION OF (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS BV (NL) 2018-08-01 EP disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
EP-2292585-B1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT WEST LAFAYETTE LLC (US) 2016-04-27 EP disclosed
EP-2935191-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP Assets B.V. (NL) 2015-10-28 EP disclosed
US-8920559-B2 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (WEST LAFAYETTE), LLC (US) 2014-12-30 US disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
WO-2014096063-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS B.V. (NL) 2014-06-26 WO disclosed
US-8350085-B2 Cocrystallization NEW FORM PHARMACEUTICALS INC. (US) 2013-01-08 US disclosed
US-8212079-B2 Cocrystallization APTUIT (WEST LAFAYETTE), LLC (US) 2012-07-03 US disclosed
US-20110251426-A1 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., INC. (US) 2011-10-13 US disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20090281195-A1 NOVEL COCRYSTALLIZATION S.S.C.I., INC. (US) 2009-11-12 US disclosed
US-7452555-B2 Cocrystallization S.S.C.I., INC. (US) 2008-11-18 US disclosed
US-20070287194-A1 Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound S.S.C.I., INC 2007-12-13 US disclosed
US-20070088508-A1 Cocrystallization methods APTUIT (WEST LAFAYETTE), LLC 2007-04-19 US disclosed
US-6303654-B1 EXPOSING TUMOR CELLS TO FARNESYL ANTHRANILATE AND CARRIER TO INHIBIT OR REDUCE TUMOR CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-10-16 US disclosed
EP-1061907-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-27 EP disclosed
WO-1999045912-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-16 WO disclosed