SCHEMBL3423352

SCHEMBL3423352

NC(=O)OCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
TSHR P16473 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL2636144 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL11752286 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL22326322 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL23152128 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL1132887 0.97
SCHEMBL28612804 0.91 GAA (0.52) ACHELMNAGAACHRM2CHRM4
SCHEMBL88487 0.90
SCHEMBL5721317 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL2059697 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL2136691 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486759-A Method for preparing methyl glutarimate by using furfuryl amine as raw material 河北工业大学 2024-02-02 CN claimed
CN-113788830-B Fluorescent probe compound and preparation method and application thereof 湖南农业大学 2022-08-09 CN claimed
CN-113788830-A Fluorescent probe compound and preparation method and application thereof 湖南农业大学 2021-12-14 CN claimed
US-4062889-A Preparation of sulfonylureas ERIC LUCIEN 1977-12-13 US claimed
CN-118176194-A Conjugates comprising covalent binding agents for targeting intracellular proteins 瑞择生物公司 2024-06-11 CN disclosed
US-11998608-B2 Polysaccharide and methods THE SECRETARY OF STATE FOR ENVIRONMENT, FOOD AND RURAL AFFAIRS (GB) 2024-06-04 US disclosed
CN-118019750-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-05-10 CN disclosed
CN-117964623-A Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-05-03 CN disclosed
CN-117924327-A Kras inhibitor compounds having macrocyclic structure 上海湃隆生物科技有限公司 2024-04-26 CN disclosed
CN-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 CN disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
WO-2024046443-A1 MACROCYCLIC COMPOUNDS AS SELECTIVE CDK INHIBITORS NUTSHELL BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-03-07 WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0299566-A2 Novel substituted N-(3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP disclosed
US-4085129-A FROM A PHENOL, DIALKYLAMIDE AND PHOSGENE HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-18 US 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 (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-11998608-B2 Polysaccharide and methods CAP1, C1S, DDOST ACHE 3779/4885LMNA 1108/4885GAA 2359/4885

“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.