SCHEMBL3459355

SCHEMBL3459355

O=C(O)CNC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
EPHX1 P07099 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 1/20 0.37
KMT2A Q03164 1/20 0.36
KCNA5 P22460 2/20 0.36
MME P08473 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNA3 P22001 1/20 0.36
CD69 Q07108 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29430517 1.00 PNMT (0.47) PNMTEPHX1NPC1RAB9AHTT
Water SCHEMBL15362024 0.99 PNMT (0.46) PNMTEPHX1NPC1RAB9AHTT
Glycine SCHEMBL25183413 0.95 PNMT (0.49) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL30898587 0.95 PNMT (0.43) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL9206495 0.95 PNMT (0.43) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL28324367 0.91 PNMT (0.41) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL8050275 0.90 PNMT (0.39) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL5045467 0.90 HTT (0.43) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL6030527 0.89 HTT (0.47) PNMTEPHX1NPC1RAB9AHTT
SCHEMBL29541016 0.89 HTT (0.47) PNMTEPHX1NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036845-A Cathepsin B-sensitive fatty acid-doxorubicin prodrug, albumin nanoparticle thereof, and preparation method and application thereof 沈阳药科大学 2026-05-15 CN claimed
CN-119219731-A Ganjing two drugs Process for producing peptide 常州吉恩药业有限公司 2024-12-31 CN claimed
CN-118374277-A Double-protease activated chemiluminescent probe and preparation method and application thereof 复旦大学 2024-07-23 CN claimed
CN-117924669-A Carboxyl functionalized super-crosslinked polymer and preparation method and application thereof 中南民族大学 2024-04-26 CN claimed
CN-117343127-A Targeted antitumor prodrug, and preparation method and application thereof 中国科学技术大学 2024-01-05 CN claimed
CN-116999408-A Cathepsin B-sensitive fatty acid-doxorubicin prodrug, albumin nanoparticle thereof, preparation method and application 沈阳药科大学 2023-11-07 CN claimed
CN-112430588-B Short peptide for resisting novel coronavirus infection and preparation method and application thereof 中国人民解放军陆军军医大学 2022-12-30 CN claimed
CN-113072620-B PD-1 targeting peptide with analgesic activity, and synthesis method and application thereof 南通大学 2022-07-05 CN claimed
EP-3988538-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Zhida Pharmaceutical Co., Ltd. (CN) 2022-04-27 EP claimed
US-20220111055-A1 MODIFIED HYDROPHOBIC EXCIPIENT AND PREPARATION METHOD THEREOF ZHEJIANG ZHIDA PHARMACEUTICAL CO., LTD. (CN) 2022-04-14 US claimed
CN-113072620-A PD-1 targeting peptide with analgesic activity, and synthesis method and application thereof 南通大学 2021-07-06 CN claimed
CN-109293926-B Protease responsive linear-dendritic block copolymer and preparation method and application thereof 云南师范大学 2021-04-23 CN claimed
CN-112430588-A Short peptide for resisting novel coronavirus infection and preparation method and application thereof 中国人民解放军陆军军医大学 2021-03-02 CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-106048736-B A kind of method of synthesis in solid state DNA encoding compound library 成都先导药物开发股份有限公司 2019-09-03 CN claimed
CN-109701013-A A kind of targeted nanometer drug delivery system and preparation method 安徽工程大学 2019-05-03 CN claimed
CN-108373496-A Inoxidizability polypeptide GTMGAVGPRG and preparation method thereof 安徽工程大学 2018-08-07 CN claimed
CN-105440110-A Chemical synthetic method for anti-inflammatory cyclopeptide cyclosquamosin D SHANGHAI ABBIOCHEM COMPANY LTD 2016-03-30 CN claimed
CN-101224306-B Folic acid-polypeptide compound-mediated targeting anti-tumor prodrug and preparing method thereof UNIV SUN YAT SEN 2011-04-20 CN claimed
CN-101230089-A Solid-phase synthesis of glycyl histidyl lycine GL BIOCHEM SHANGHAI LTD (CN) 2008-07-30 CN 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 (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-20220111055-A1 MODIFIED HYDROPHOBIC EXCIPIENT AND PREPARATION METHOD THEREOF CETP, SLC43A1, SLC27A1 PNMT 1935/4885EPHX1 1558/4885NPC1 77/4885

“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.