SCHEMBL71797

SCHEMBL71797

BrCCCOc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.71
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
LTA4H P09960 3/20 0.54
HTR1B P28222 2/20 0.54

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
SCHEMBL3950956 1.00 KCNA3 (0.71) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL311427 0.93 KCNA3 (0.76) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL5375466 0.91 LTA4H (0.68) KCNA3TAAR1DRD2DRD4DRD3
SCHEMBL1171574 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL9169690 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL23014989 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL7612512 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL1172113 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL9631165 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL7562039 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLDRD2

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 1291 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358908-B2 Crystals, preparation method and application of a muscarinic receptor antagonist BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2025-07-15 US claimed
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN claimed
US-20230167107-A1 CRYSTALS, PREPARATION METHOD AND APPLICATION OF A MUSCARINIC RECEPTOR ANTAGONIST BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2023-06-01 US claimed
EP-4144733-A1 CRYSTAL OF M RECEPTOR ANTAGONIST AS WELL AS PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Beijing Showby Pharmaceutical Co., Ltd. (CN) 2023-03-08 EP claimed
CN-115397823-A M receptor antagonist crystal, preparation method and application thereof 北京硕佰医药科技有限责任公司 2022-11-25 CN claimed
CN-111018678-B Preparation method of high-purity 3-phenoxy bromopropane 山东省药学科学院 2022-08-09 CN claimed
CN-113578380-B Column [5] arene ionic liquid catalyst based on propylimidazole functionalization and preparation method thereof 抚顺东科新能源科技有限公司 2022-07-22 CN claimed
CN-112645971-B Method for directly preparing alkyl borate compound from alkyl halide 中国科学院兰州化学物理研究所 2021-12-24 CN claimed
CN-113683492-A Preparation method of 3-phenoxybromopropane or analogue thereof 常熟理工学院 2021-11-23 CN claimed
CN-108112252-B Process for preparing aclidinium bromide 好利安科技有限公司 2020-11-24 CN claimed
US-20090299042-A1 PROCESS FOR MANUFACTURING 3(R)-(2-HYDROXY-2,2-DITHIEN-2-YLACETOXY)-1-(3-PHENOXYPROPYL)-1-AZONIABICYCLO[2.2.2]OCTANE BROMIDE ALMIRALL, S.A. (ES) 2009-12-03 US claimed
EP-2044067-B1 PROCESS FOR MANUFACTURING 3(R)-(2-HYDROXY-2,2-DITHIEN-2-YLACETOXY)-1-(3- PHENOXYPROPYL)-1 -AZONIABICYCLO[2.2.2]OCTANE BROMIDE ALMIRALL SA (ES) 2009-11-18 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
CN-101490048-A Process for preparing 3 - (2-hydroxy-2, 2-dithien-2-ylacetoxy) -1- (3-phenoxypropyl) -1-azoniabicyclo [2.2.2] octane bromide ALMIRALL LAB (ES) 2009-07-22 CN claimed
EP-2044067-A1 PROCESS FOR MANUFACTURING 3(R)-(2-HYDROXY-2,2-DITHIEN-2-YLACETOXY)-1-(3- PHENOXYPROPYL)-1 -AZONIABICYCLO[2.2.2]OCTANE BROMIDE Laboratorios Almirall, S.A. (ES) 2009-04-08 EP claimed
WO-2008009397-A1 PROCESS FOR MANUFACTURING 3(R)-(2-HYDROXY-2,2-DITHIEN-2-YLACETOXY)-1-(3-PHENOXYPROPYL)-1-AZONIABICYCLO[2.2.2]OCTANE BROMIDE LABORATORIOS ALMIRALL, S.A. (ES) 2008-01-24 WO claimed
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US claimed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US claimed
WO-2005073709-A1 DETERMINATION OF THE OPERATIONAL ISOELECTRIC POINT OF ISOELECTRIC MEMBRANES THE TEXAS A & M UNIVERSITY SYSTEM (US) 2005-08-11 WO claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed

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-20230167107-A1 CRYSTALS, PREPARATION METHOD AND APPLICATION OF A MUSCARINIC RECEPTOR ANTAGONIST CHRM5, CHRM2, CHRM3 KCNA3 86/4885TAAR1 159/4885ALDH1A1 4300/4885
US-12358908-B2 Crystals, preparation method and application of a muscarinic receptor antagonist CHRM5, CHRM2, CHRM3 KCNA3 86/4885TAAR1 159/4885ALDH1A1 4300/4885

“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.