SCHEMBL58023

SCHEMBL58023

O=C(O)/C(=C\c1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
RECQL P46063 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.47
CTBP2 P56545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MME P08473 2/20 0.44
CNR2 P34972 1/20 0.44
TBXAS1 P24557 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL58024 1.00 CYP3A4 (1.00) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL2957009 0.98 CYP3A4 (0.96) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL28209668 0.89 CYP3A4 (0.80) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL15419989 0.89 CYP3A4 (0.80) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL30814247 0.89 CYP3A4 (0.79) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL453850 0.88 CYP3A4 (0.79) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL453849 0.88 CYP3A4 (0.79) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL4776145 0.85 CYP3A4 (0.73) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL22147 0.85 CYP3A4 (0.73) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL6432268 0.85 CYP3A4 (0.73) CYP3A4CYP2C9CES1CES2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020102280-A1 Solvent systems for pharmaceutical agents LYOTROPIC THERAPEUTICS, INC. 2002-08-01 US claimed
US-6121234-A ORALLY COADMINISTERING TO MAMMAL PHARMACEUTICAL COMPOUND AND ESSENTIAL OIL AVMAX, INC. (US) 2000-09-19 US claimed
EP-0831870-A4 USE OF ESSENTIAL OILS TO INCREASE BIOAVAILABILITY OF ORAL PHARMACEUTICAL COMPOUNDS AVMAX INC (US) 1998-09-16 EP claimed
EP-0831870-A1 USE OF ESSENTIAL OILS TO INCREASE BIOAVAILABILITY OF ORAL PHARMACEUTICAL COMPOUNDS Avmax, Inc. (US) 1998-04-01 EP claimed
US-5716928-A ADMINISTERING DRUG CONCURRENTLY WITH ESSENTIAL OIL AVMAX, INC. (US) 1998-02-10 US claimed
US-5665386-A Use of essential oils to increase bioavailability of oral pharmaceutical compounds AVMAX, INC. (US) 1997-09-09 US claimed
WO-1996040192-A1 USE OF ESSENTIAL OILS TO INCREASE BIOAVAILABILITY OF ORAL PHARMACEUTICAL COMPOUNDS AVMAX, INC. (US) 1996-12-19 WO claimed
US-20140271863-A1 HOT WASHABLE POLY-N-ISOPROPYLACRYLAMIDE HYDROGEL DELIVERY SYSTEMS Textile-Based Delivery, Inc. (US) 2014-09-18 US disclosed
US-8449863-B2 Stabilized uncoated particles of reversed liquid crystalline phase materials LYOTROPIC THERAPEUTICS, INC. (US) 2013-05-28 US disclosed
US-8128906-B2 Stabilized uncoated particles of reversed liquid crystalline phase materials LYOTROPIC THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
US-8128905-B2 Stabilized uncoated particles of reversed liquid crystalline phase materials LYOTROPIC THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
EP-2364696-A1 Formulations for delivery via pressurised metered dose inhalers SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2011-09-14 EP disclosed
EP-2089008-B1 FORMULATIONS FOR DELIVERY VIA PRESSURISED METERED DOSE INHALERS COMPRISING AN ESSENTIAL OIL AS SUSPENSION STABILISER UNIV LONDON PHARMACY (GB) 2011-07-20 EP disclosed
EP-1345589-A4 SOLVENT SYSTEMS FOR PHARMACEUTICAL AGENTS LYOTROPIC THERAPEUTICS INC (US) 2004-01-28 EP disclosed
WO-2003106382-A2 REVERSED LIQUID CRYSTALLINE PHASES WITH NON-PARAFFIN HYDROPHOBES LYOTROPIC THERAPEUTICS, INC. (US) 2003-12-24 WO disclosed
EP-1345589-A1 SOLVENT SYSTEMS FOR PHARMACEUTICAL AGENTS Lyotropic Therapeutics, Inc. (US) 2003-09-24 EP disclosed
US-20030022242-A1 Particle for use in the absorption of one or more materials in preferential environments LYOTROPIC THERAPEUTICS, INC. 2003-01-30 US disclosed
WO-2003000236-A1 PARTICLES WITH IMPROVED SOLUBILIZATION CAPACITY LYOTROPIC THERAPEUTICS, INC (US) 2003-01-03 WO disclosed
US-20020102280-A1 Solvent systems for pharmaceutical agents LYOTROPIC THERAPEUTICS, INC. 2002-08-01 US disclosed
WO-2002043696-A1 SOLVENT SYSTEMS FOR PHARMACEUTICAL AGENTS LYOTROPIC THERAPEUTICS, INC. (US) 2002-06-06 WO disclosed