SCHEMBL9900714

SCHEMBL9900714

COc1ccc(CC(C)C=O)cc1.COc1ccc(CC(C)C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
LDHA P00338 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
IDO1 P14902 1/20 0.45
CYP2A6 P11509 1/20 0.45
HTT P42858 1/20 0.45
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8283115 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL113550 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL30290019 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL11341494 0.83 TP53 (0.56) TP53TSHRCYP1A2CYP2D6CYP2C19
3,4-Dimethoxybenzaldehyde SCHEMBL28654147 0.83 ALDH1A1 (0.58) TSHRCYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8693997 0.82 LDHA (0.56) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL9519382 0.82 SLC6A4 (0.51) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL3017223 0.81 TP53 (0.54) TP53TSHRACACB
SCHEMBL23212331 0.81 TSHR (0.58) SLC6A4TP53TSHRLDHA
SCHEMBL11557280 0.81 TP53 (0.44) SLC6A4TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002632-A1 APPARATUS AND COMPOSITIONS FOR IMPROVING SCENT DELIVERY THE PROCTER AND GAMBLE COMPANY 2022-01-06 US claimed
US-20220002633-A1 APPARATUS AND COMPOSITIONS FOR IMPROVING SCENT DELIVERY THE PROCTER AND GAMBLE COMPANY 2022-01-06 US claimed
US-12036341-B2 Freshening compositions and methods of atomizing freshening compositions with a thermally-actuated microfluidic cartridge THE PROCTER & GAMBLE COMPANY (US) 2024-07-16 US disclosed
EP-3999344-B1 METHOD OF ATOMIZING A FLUID COMPOSITION PROCTER & GAMBLE (US) 2024-06-05 EP disclosed
US-20240166427-A1 AEROSOL DISPENSER AND NOZZLE THE PROCTER AND GAMBLE COMPANY 2024-05-23 US disclosed
US-20240166426-A1 AEROSOL DISPENSER AND NOZZLE WITH REDUCED DRIP THE PROCTER AND GAMBLE COMPANY 2024-05-23 US disclosed
WO-2024108077-A1 AEROSOL DISPENSER AND NOZZLE THE PROCTER & GAMBLE COMPANY (US) 2024-05-23 WO disclosed
WO-2024108076-A1 AEROSOL DISPENSER AND NOZZLE WITH REDUCED DRIP THE PROCTER & GAMBLE COMPANY (US) 2024-05-23 WO disclosed
EP-3431143-B1 GELS COMPRISING A HYDROPHOBIC MATERIAL PROCTER & GAMBLE INT OPERATIONS SA (CH) 2024-02-28 EP disclosed
EP-3431144-B1 GELS COMPRISING A HYDROPHOBIC MATERIAL PROCTER & GAMBLE INT OPERATIONS SA (CH) 2023-06-14 EP disclosed
EP-4175682-A1 APPARATUS AND COMPOSITIONS FOR IMPROVING SCENT DELIVERY The Procter & Gamble Company (US) 2023-05-10 EP disclosed
EP-2512530-A1 LAUNDRY DETERGENT COMPOSITION HAVING A MALODOR CONTROL COMPONENT AND METHODS OF LAUNDERING FABRICS The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512529-A1 ABSORBENT ARTICLE COMPRISING A MALODOR CONTROL COMPOSITION HAVING AN ACID CATALYST The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512527-A1 FRESHENING COMPOSITIONS COMPRISING MALODOR BINDING POLYMERS AND MALODOR CONTROL COMPONENTS The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512528-A1 HARD SURFACE CLEANING COMPOSITION HAVING A MALODOR CONTROL COMPONENT AND METHODS OF CLEANING HARD SURFACES The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512531-A1 DISHWASHING DETERGENT COMPOSITION HAVING A MALODOR CONTROL COMPONENT AND METHODS OF CLEANING DISHWARE The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512532-A1 MALODOR CONTROL COMPOSITION HAVING AN ACID CATALYST AND METHODS THEREOF The Procter & Gamble Company (US) 2012-10-24 EP disclosed
WO-2012078626-A2 UNSCENTED AND LOW SCENTED MALODOR CONTROL COMPOSITIONS AND METHODS THEREOF THE PROCTER & GAMBLE COMPANY (US) 2012-06-14 WO disclosed
WO-2012078208-A1 MALODOR CONTROL COMPOSITIONS COMPRISING MALODOR CONTROL POLYMERS AND ACID CATALYSTS AND METHODS THEREOF THE PROCTER & GAMBLE COMPANY (US) 2012-06-14 WO disclosed
US-20110305659-A1 FRESHENING COMPOSITIONS COMPRISING MALODOR BINDING POLYMERS AND MALODOR CONTROL COMPONENTS THE PROCTER & GAMBLE COMPANY 2011-12-15 US disclosed