SCHEMBL218538

SCHEMBL218538

CC1=CC(=O)OC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL13143012 0.73 TSHR (0.35) TSHRACHEALDH1A1PTPN1
SCHEMBL9534820 0.73 PTPN1 (0.34) ACHEALDH1A1POLBPTPN1
SCHEMBL5281483 0.73 TSHR (0.43) TSHRACHEALDH1A1PTPN1
SCHEMBL7235362 0.71 ALDH1A1 (0.33) TSHRACHEALDH1A1PTPN1
SCHEMBL17620913 0.70 TSHR (0.36) TSHR
SCHEMBL125009 0.70 ACHE (0.32) TSHRACHEALDH1A1
SCHEMBL125436 0.70 POLB (0.39) TSHRACHEALDH1A1POLB
SCHEMBL7237915 0.70 PTPN1 (0.35) TSHRACHEPOLBPTPN1
SCHEMBL7682479 0.69 ACHE (0.32) TSHRACHEALDH1A1
SCHEMBL12844899 0.69 ACHE (0.32) TSHRACHE

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 1237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577270-B2 2′,3′-diacetyluridine substituted with acetoacetyl at the 5′ position PHARMA CINQ, LLC (US) 2026-03-17 US claimed
CN-118026974-A Chromonol containing difuran diamine structure and disazo pigment derived from same 江苏丽王科技有限公司 2024-05-14 CN claimed
US-20230357304-A1 2′,3′-Diacetyluridine Substituted With Acetoacetyl at the 5′ Position WELLSTAT THERAPEUTICS CORPORATION 2023-11-09 US claimed
EP-4210709-A1 2',3'-DIACETYLURIDINE SUBSTITUTED WITH ACETOACETYL AT THE 5' POSITION Wellstat Therapeutics Corporation (US) 2023-07-19 EP claimed
US-20230102379-A1 CITRUS HUANGLONGBING THERAPEUTIC COMPOUNDS POINT LOMA NAZARENE UNIVERSITY 2023-03-30 US claimed
WO-2023002984-A1 METHOD FOR PRODUCING IMIDAZOLE COMPOUND 小野薬品工業株式会社 2023-01-26 WO claimed
WO-2022077852-A1 3,5-DICARBOXYLIC ACID ESTER-1,4-DIHYDROPYRIDINE HYDROGENATING REAGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中山奕安泰医药科技有限公司 2022-04-21 WO claimed
CN-114349687-A 3, 5-dicarboxylic ester-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 CN claimed
CN-114349685-A 3, 5-diamide-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 CN claimed
WO-2021150951-A1 CITRUS HUANGLONGBING THERAPEUTIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-29 WO claimed
US-5326378-A Tris (2-acetoacetoxy ethyl)-amine, and its hydrosoluble salts, preparation process, use as formaldehyde collectors and finishing process for fabrics SOCIETE FRANCAISE HOECHST (FR) 1994-07-05 US claimed
WO-1994013725-A1 PROCESS FOR THE PRODUCTION OF POLYURETHANE FOAMS EASTMAN CHEMICAL COMPANY (US) 1994-06-23 WO claimed
EP-0598038-A1 CELLULOSE ACETOACETATES. EASTMAN KODAK CO (US) 1994-05-25 EP claimed
US-5292877-A Cellulose acetoacetates EASTMAN KODAK COMPANY (US) 1994-03-08 US claimed
US-5234965-A Acetoacetylation of some hydroxy groups of a polyhydric compound used to react with polyisocyanate in the presence of a blowing agent and catalyst to lower the viscosity EASTMAN KODAK COMPANY (US) 1993-08-10 US claimed
WO-1993003063-A1 CELLULOSE ACETOACETATES EASTMAN CHEMICAL COMPANY (US) 1993-02-18 WO claimed
US-4992584-A Using homogeneous solution of 1,3-dioxin-4-one and a,b-unsaturated amide EASTMAN KODAK COMPANY (US) 1991-02-12 US claimed
US-4551523-A Preparation of saccharide acetoacetates EASTMAN KODAK COMPANY (US) 1985-11-05 US claimed
US-4496747-A Process for the preparation of dehydroacetic acid EASTMAN KODAK COMPANY (US) 1985-01-29 US claimed
US-3931171-A FROM A 1,3-DIOXINONE-(4) AND AN ISOCYANATE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (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-20230102379-A1 CITRUS HUANGLONGBING THERAPEUTIC COMPOUNDS LSS, REL, RPN1 TSHR 4599/4885ACHE 75/4885ALDH1A1 1897/4885
US-12577270-B2 2′,3′-diacetyluridine substituted with acetoacetyl at the 5′ position UQCRC2, ACAT1, ACAA2 TSHR 3434/4885ACHE 2299/4885ALDH1A1 185/4885
US-20230357304-A1 2′,3′-Diacetyluridine Substituted With Acetoacetyl at the 5′ Position ACAT1, ACADVL, ACAA2 TSHR 3094/4885ACHE 3169/4885ALDH1A1 280/4885

“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.