SCHEMBL2820906

SCHEMBL2820906

CCC(O)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
EPHX2 P34913 2/20 0.44
KDM4A O75164 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1678559 0.94 TRPA1 (0.57) TRPA1SMN1; SMN2SIGMAR1TRPV1
SCHEMBL5806427 0.92 TRPA1 (0.59) TRPA1SIGMAR1TRPV1
SCHEMBL1678754 0.92 TRPA1 (0.59) TRPA1SIGMAR1TRPV1
SCHEMBL28187174 0.91 TRPA1 (0.46) TRPA1SMN1; SMN2SIGMAR1ADRA1ASLC6A3
SCHEMBL27179242 0.90 CA1 (0.45) TRPA1SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL11440803 0.89 MMP12 (0.53) HDAC2
SCHEMBL2524872 0.88 DPP4 (0.49) TRPA1SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL108799 0.88 DPP4 (0.49) TRPA1SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL5833581 0.87 TRPA1 (0.56) TRPA1SMN1; SMN2SIGMAR1ADRA1ASLC6A3
SCHEMBL14402447 0.86 SIGMAR1 (0.49) TRPA1SMN1; SMN2SIGMAR1ADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226030-A Pest repellent composition 花王株式会社 2021-08-06 CN claimed
US-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances FLORIDA GULF COAST UNIVERSITY BOARD OF TRUSTEES (US) 2024-04-16 US disclosed
EP-3239261-B1 METHOD FOR PRODUCING AN ADHESIVE COMPOSITION AND A LAMINATE TOYO INK SC HOLDINGS CO LTD (JP) 2023-11-29 EP disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-113226030-A Pest repellent composition 花王株式会社 2021-08-06 CN disclosed
US-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances VITACHEM LLC (US) 2021-02-25 US disclosed
EP-3743410-A1 USE OF PYRIDOXAL ACETAL SALTS AS WATER-TRIGGERED PROFRAGRANCES Vitachem LLC (US) 2020-12-02 EP disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 US disclosed
CN-107406744-B Method for producing adhesive composition and method for producing laminate 东洋油墨SC控股株式会社 2020-06-23 CN disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 WO disclosed
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
WO-2010123932-A1 COMPOSITIONS AND METHODS FOR FERMENTATION OF BIOMASS QTEROS, INC. (US) 2010-10-28 WO disclosed
EP-1721943-B1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORP (JP) 2010-05-12 EP disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP 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
WO-2009038030-A1 GEL SHEET AND SHEET-LIKE COSMETIC MATERIAL USING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 WO 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
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 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 (3 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-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances PLPBP, PNPO, ADH5 TRPA1 124/4885SMN1; SMN2 3418/4885SIGMAR1 1755/4885
US-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances PLPBP, PNPO, VKORC1 TRPA1 88/4885SMN1; SMN2 3761/4885SIGMAR1 1721/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 TRPA1 38/4885SMN1; SMN2 2761/4885SIGMAR1 844/4885

“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.