SCHEMBL965420

SCHEMBL965420

O=C(c1ccccc1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.63
MCL1 Q07820 1/20 0.58
HTR2A P28223 1/20 0.53
CPB1 P15086 1/20 0.53
MGLL Q99685 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD11B1 P28845 1/20 0.51
MEN1 O00255 1/20 0.51
SLC18A3 Q16572 2/20 0.50
POLB P06746 1/20 0.50
ELANE P08246 1/20 0.50
HPGD P15428 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL15155929 0.98 SRD5A2 (0.67) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL33443 0.98 SRD5A2 (0.67) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL1427963 0.98 SRD5A2 (0.67) SRD5A2MCL1HTR2ACPB1MGLL
Bicarbonate SCHEMBL6612782 0.96 SRD5A2 (0.65) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL3113279 0.95 SRD5A2 (0.58) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL324342 0.91 HTR2A (0.56) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL18428493 0.91 HTR2A (0.56) SRD5A2MCL1HTR2ACPB1MGLL
Bicarbonate SCHEMBL11468689 0.88 HTR2A (0.54) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL28262911 0.87 SRD5A2 (0.56) SRD5A2MCL1HTR2ACPB1MGLL
SCHEMBL22137390 0.86 SRD5A2 (0.54) SRD5A2MCL1HTR2ACPB1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116046945-B Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2025-03-11 CN claimed
US-20250033082-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2025-01-30 US claimed
CN-118619939-A Synthesis method of penehyclidine hydrochloride 国药集团工业有限公司廊坊分公司 2024-09-10 CN claimed
EP-4423178-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2024-09-04 EP claimed
CN-118201991-A Methods and compositions for reducing solvent release from agrochemical formulations and reducing agrochemical formulation odor 安道麦马克西姆有限公司 2024-06-14 CN claimed
CN-118027260-A High-selectivity polymer material with adjustable repeating unit carbon skeleton structure and preparation method thereof 大连理工大学 2024-05-14 CN claimed
CN-116514800-A Preparation method of penehyclidine hydrochloride 湖南一格制药有限公司 2023-08-01 CN claimed
CN-116420575-A Stemona seed direct seeding cultivation method 重庆市中药研究院 2023-07-14 CN claimed
WO-2023073536-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2023-05-04 WO claimed
CN-116046945-A Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2023-05-02 CN claimed
CN-107337595-A Synthesis process of cyclopentyl phenyl ketone 海门华祥医药科技有限公司 2017-11-10 CN claimed
CN-106431832-A Alpha-cyclopentyl (phenyl) methanol synthesis and resolution method 陈永军 2017-02-22 CN claimed
CN-105753682-A Preparation method of cyclopentyl phenyl ketone 中国科学院成都有机化学有限公司 2016-07-13 CN claimed
CN-104237392-A Method of detecting impurities in penehyclidine CHONGQING XIANYANG MEDICINE SCIENCE & TECHNOLOGY CO LTD 2014-12-24 CN claimed
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO claimed
US-20040006243-A1 Method of producing oxybutynin and its derivatives THE UNIVERSITY OF TOKYO (JP) 2004-01-08 US claimed
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US claimed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US claimed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO SRD5A2 921/4885MCL1 2565/4885HTR2A 3196/4885
US-20040006243-A1 Method of producing oxybutynin and its derivatives KHK, BCKDK, AKR1B10 SRD5A2 172/4885MCL1 2080/4885HTR2A 2832/4885

“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.