SCHEMBL999550

SCHEMBL999550

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
SCHEMBL999549 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404479-B2 Laundry detergent composition containing graft copolymer and benefit agent THE PROCTER & GAMBLE COMPANY (US) 2025-09-02 US claimed
CN-116507709-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2023-07-28 CN claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 US claimed
CN-115666494-A Encapsulated compositions comprising core-shell microcapsules and methods of making the same 奇华顿股份有限公司 2023-01-31 CN claimed
CN-115551986-A Fragrance composition 奇华顿股份有限公司 2022-12-30 CN claimed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN claimed
CN-115297822-A Consumer product comprising a plurality of microcapsules defined by an average total surface area 奇华顿股份有限公司 2022-11-04 CN claimed
CN-110769805-B Novel fragrance compositions and products having mood enhancing effect 西姆莱斯有限公司 2022-07-22 CN claimed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN claimed
US-20200172830-A1 BLENDS CONTAINING ENANTIOMERICALLY PURE AMBROCENIDE® SYMRISE AG (DE) 2020-06-04 US claimed
US-20170114299-A1 New mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) SYMRISE AG (DE) 2017-04-27 US claimed
US-20100287710-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-11-18 US claimed
US-12404479-B2 Laundry detergent composition containing graft copolymer and benefit agent THE PROCTER & GAMBLE COMPANY (US) 2025-09-02 US disclosed
CN-117836397-A Smell cancellation 奇华顿股份有限公司 2024-04-05 CN disclosed
CN-111836667-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-02-23 CN disclosed
US-7538149-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2009-05-26 US disclosed
EP-1967579-A1 LIQUID DETERGENT Kao Corporation (JP) 2008-09-10 EP 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

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

For each of this compound's patents that has machine-readable text (2 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-20200172830-A1 BLENDS CONTAINING ENANTIOMERICALLY PURE AMBROCENIDE® OR51E2, CYP1B1, QDPR ADORA3 1270/4885NR1I2 1223/4885PTGS2 1499/4885
US-20170114299-A1 New mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) OR51E2, OR10J3, TAS2R7 ADORA3 469/4885NR1I2 1321/4885PTGS2 3609/4885

“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.