SCHEMBL52738

SCHEMBL52738

CC(C)(C)OC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DGAT1 O75907 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
CYP2D6 P10635 2/20 0.39
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL223525 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
SCHEMBL21406297 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
SCHEMBL28314694 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
Ammonia Solution, Strong SCHEMBL3971260 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
Ethane SCHEMBL1979252 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
SCHEMBL27486074 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
Methane SCHEMBL17763563 0.97 MEN1 (0.41) MEN1GAAKMT2ADGAT1TDP1
SCHEMBL28314719 0.95 MEN1 (0.40) MEN1GAAKMT2ADGAT1TDP1
Butane SCHEMBL14890902 0.93 MEN1 (0.39) MEN1GAAKMT2ADGAT1TDP1
SCHEMBL25275143 0.88 DGAT1 (0.37) MEN1GAAKMT2ADGAT1TDP1

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 1598 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735459-A1 METHODS AND INTERMEDIATES FOR PREPARING ANTIVIRAL PRODRUGS GILEAD SCIENCES, INC. (US) 2026-05-06 EP claimed
CN-119639162-A Anti-aging polyolefin material and preparation method thereof 南京博科新材料产业研究院有限公司 2025-03-18 CN claimed
WO-2025050033-A1 SECONDARY FUEL GENERATING COMPLEXING AGENTS FOR ULTRA-LOW TEMPERATURE METAL COMPOUND FORMATION VIA COMBUSTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-03-06 WO claimed
WO-2025006582-A1 METHODS AND INTERMEDIATES FOR PREPARING ANTIVIRAL PRODRUGS GILEAD SCIENCES, INC. (US) 2025-01-02 WO claimed
CN-118791713-A Polyester resin, solvent-free adhesive, preparation method of solvent-free adhesive, aluminum plastic film and lithium battery 苏州瀚海新材料有限公司 2024-10-18 CN claimed
CN-118598749-A Photosensitive functionalized metal carboxylate and photosensitive nanocrystalline composite material prepared by same 河北工业大学 2024-09-06 CN claimed
CN-118206612-A Ocotill type sapogenin A cycloaminothiazole ring derivative and preparation method and application thereof 烟台大学 2024-06-18 CN claimed
EP-4368686-A1 LUBRICITY IMPROVER COMPOSITION FOR FUEL OIL AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2024-05-15 EP claimed
CN-114605622-B Aliphatic polyester with malonic acid structure, and preparation method and application thereof 苏州瀚海新材料有限公司 2024-04-02 CN claimed
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN claimed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 US claimed
WO-2008145563-A2 PROCESS FOR PREPARING TRIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO claimed
US-7193090-B2 Preparation of atorvastatin APOTEX PHARMACHEM INC. (CA) 2007-03-20 US claimed
EP-1725527-A1 AN IMPROVED PREPARATION OF ATORVASTATIN Apotex Pharmachem Inc. (CA) 2006-11-29 EP claimed
WO-2005087723-A1 AN IMPROVED PREPARATION OF ATORVASTATIN APOTEX PHARMACHEM INC. (CA) 2005-09-22 WO claimed
US-20050203302-A1 Preparation of atorvastatin APOTEX PHARMACHEM INC. 2005-09-15 US claimed
US-6913865-B2 Surface modified encapsulated inorganic resist MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-07-05 US claimed
US-20030099897-A1 Surface modified encapsulated inorganic resist MASS INSTITUTE OF TECHNOLOGY (MIT) 2003-05-29 US claimed
US-6004823-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 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-20050203302-A1 Preparation of atorvastatin HMGCR, CYP7A1, FAR1 MEN1 3366/4885GAA 1169/4885KMT2A 2235/4885
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes POLRMT, TYMS, POLR1G MEN1 4182/4885GAA 744/4885KMT2A 539/4885

“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.