SCHEMBL4609240

SCHEMBL4609240

Cc1cc2ccccc2c(C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP2A6 P11509 5/20 0.48
TSHR P16473 2/20 0.45
ERN1 O75460 3/20 0.43
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PADI4 Q9UM07 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL1666535 0.86 CYP1A2 (0.50) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL23294038 0.85 CYP2A6 (0.37) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL1055398 0.85 CYP1A2 (0.48) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL28309982 0.81 CYP1A2 (0.46) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL22046778 0.81 CYP1A2 (0.46) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL24917385 0.79 CYP1A2 (0.44) CYP1A2CYP2A6TSHRMAPTALDH1A1
SCHEMBL7833549 0.79 ERN1 (0.56) CYP1A2CYP2A6ERN1CYP2C19MAPT
SCHEMBL13018006 0.78 ERN1 (0.54) CYP1A2CYP2A6ERN1CYP2C19MAPT
SCHEMBL18921049 0.78 CYP1A2 (0.46) CYP1A2CYP2A6TSHRERN1CYP2C19
SCHEMBL10559751 0.76 CYP1A2 (0.49) CYP1A2CYP2A6ERN1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP claimed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 WO claimed
WO-2024027922-A1 A FRAGRANCE MIXTURE (II) SYMRISE AG (DE) 2024-02-08 WO claimed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 WO claimed
WO-2023147874-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-08-10 WO claimed
WO-2023021012-A1 COMPOSITIONS SYMRISE AG (DE) 2023-02-23 WO claimed
CN-109651123-A A kind of method that support type tungsten carbide catalysis Myracaldehyde selection is cyclized ring Myracaldehyde processed 中国科学院大连化学物理研究所 2019-04-19 CN claimed
CN-101184744-A Aroma precursor and flavor precursor composition FLEXITRAL INC (US) 2008-05-21 CN claimed
EP-4392526-A1 FRAGRANCE BEAD COMPOSITION AND USE THEREOF Novozymes A/S (DK) 2024-07-03 EP disclosed
WO-2023025122-A1 FRAGRANCE BEAD COMPOSITION AND USE THEREOF NOVOZYMES A/S (DK) 2023-03-02 WO disclosed
CN-109069378-B Perfume mixture containing ester and ketone 西姆莱斯股份公司 2022-10-11 CN disclosed
EP-3728540-A1 PRODUCING A MELTABLE OBJECT CONTAINING A PERFUME Henkel AG & Co. KGaA (DE) 2020-10-28 EP disclosed
CN-109851487-A A kind of method that the selection cyclisation of load type molybdenum carbide catalysis Myracaldehyde prepares ring Myracaldehyde 中国科学院大连化学物理研究所 2019-06-07 CN disclosed
CN-1548428-A Carboxylic acid derivatives containing fused rings ������������ʽ���� 2004-11-24 CN disclosed
EP-0887338-B1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN SA (CH) 2002-10-09 EP disclosed
EP-1240303-A1 LAUNDRY AND CLEANING AND/OR FABRIC CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-09-18 EP disclosed
EP-1223160-A2 Carbonates for the delivery of aldehydes and/or ketones Givaudan SA (CH) 2002-07-17 EP disclosed
WO-2001046374-A1 LAUNDRY AND CLEANING AND/OR FABRIC CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-28 WO disclosed
CN-1214042-A Carboxylic acid derivatives containing fused rings EISAI CO LTD (JP) 1999-04-14 CN disclosed