SCHEMBL999549

SCHEMBL999549

CC/C=C/CCCOC(=O)OCCC/C=C/CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.55
NR1I2 O75469 2/20 0.55
PTGS2 P35354 2/20 0.55
PGR P06401 1/20 0.55
PDE4D Q08499 1/20 0.55
ALDH1A1 P00352 7/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 1/20 0.47
CYP19A1 P11511 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
PTGS1 P23219 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
SCHEMBL1627822 1.00 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL999550 1.00 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9069446 0.87 ALDH1A1 (0.61) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9070079 0.87 ALDH1A1 (0.61) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6945280 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL28231787 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6945278 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6951405 0.86 ATM (0.48) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6951408 0.86 ATM (0.48) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL999551 0.85 ADORA3 (0.53) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed
WO-2023068082-A1 AROMATIC PARTICLE DISPERSION AND AQUEOUS INK COMPOSITION FOR WRITING INSTRUMENT CONTAINING SAME 三菱鉛筆株式会社 2023-04-27 WO disclosed
WO-2022270532-A1 PERFUME COMPOSITION 花王株式会社 2022-12-29 WO disclosed
WO-2022249897-A1 PERFUME COMPOSITION 花王株式会社 2022-12-01 WO disclosed
WO-2022124003-A1 FRAGRANCE COMPOSITION 花王株式会社 2022-06-16 WO disclosed
CN-107429195-B Fragrance composition 强生消费者公司 2022-05-03 CN disclosed
CN-114269888-A Fragrance enhancing compositions 阿尔门德拉私人有限公司 2022-04-01 CN disclosed
CN-108349859-B Cyclopropane compounds 花王株式会社 2022-01-11 CN disclosed
CN-107249559-B Composition for forming a film on keratin fibres 诺赛尔股份有限公司 2021-07-27 CN disclosed
CN-108367088-B Composition and delivery system and filling for spraying two or more compositions 约翰逊父子公司 2021-07-06 CN disclosed
US-20060258776-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed
EP-1721943-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-11-15 EP disclosed
US-20060211598-A1 Musk odorant compounds FIRMENICH SA (CH) 2006-09-21 US disclosed
EP-1689728-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2006-08-16 EP disclosed
WO-2005054220-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2005-06-16 WO disclosed
US-6774101-B2 Alcohol-free perfuming composition FIRMENICH SA (CH) 2004-08-10 US disclosed
EP-1399124-A2 STABLE TRANSPARENT PERFUMING EMULSION FIRMENICH SA (CH) 2004-03-24 EP disclosed
WO-2002102339-A1 STABLE TRANSPARENT PERFUMING EMULSION FIRMENICH S.A. (CH) 2002-12-27 WO disclosed
WO-2002100372-A2 STABLE TRANSPARENT PERFUMING EMULSION FIRMENICH SA (CH) 2002-12-19 WO disclosed
US-6403109-B1 SUBSTANTIALLY FREE OF VOLATILE ORGANIC SOLVENTS, OIL IN WATER EMULSION OR WATER IN OIL EMULSION; UREA, A DIOL, A TRIOL OR A POLYOL; VOLATILE SILICONE FLUID SUCH AS DECAMETHYL TETRASILOXANE, OCTAMETHYLCYCLOTETRASILOXANE FIRMENICH SA (CH) 2002-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211598-A1 Musk odorant compounds KHK, KCNK5, KLK5 ADORA3 3718/4885NR1I2 3071/4885PTGS2 903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.