SCHEMBL779266

SCHEMBL779266

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL7595587 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15L3MBTL1KEAP1
SCHEMBL779267 0.87 ALDH1A1 (0.41) ALDH1A1TSHRALOX15TDP1HSD17B10
SCHEMBL10523999 0.84 TSHR (0.35) ALDH1A1TSHRALOX15KEAP1NFE2L2
SCHEMBL3990084 0.84 TSHR (0.35) ALDH1A1TSHRALOX15KEAP1NFE2L2
SCHEMBL17783667 0.83 HSD17B10 (0.50) ALDH1A1TSHRALOX15L3MBTL1TDP1
SCHEMBL6825661 0.80 TSHR (0.35) ALDH1A1TSHRALOX15L3MBTL1KEAP1
SCHEMBL30106390 0.79 ALDH1A1 (0.44) ALDH1A1TSHRALOX15TDP1HSD17B10
SCHEMBL27699936 0.78
SCHEMBL273328 0.78
SCHEMBL367441 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710180-A Method for asymmetrically synthesizing sex pheromone of mealybugs of hibiscus syriacus 中国农业大学 2023-02-24 CN claimed
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 EP claimed
CN-115710180-B Method for asymmetrically synthesizing mealy bugle sex pheromone of hibiscus mani 中国农业大学 2025-06-27 CN disclosed
EP-3709426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ENERGY DEVICE USING SAME MITSUBISHI CHEM CORP (JP) 2025-02-26 EP disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-20 US disclosed
US-20240182932-A1 SYNTHESIS OF ISOPRENOIDS AND DERIVATIVES WILLIAM MARSH RICE UNIVERSITY (US) 2024-06-06 US disclosed
US-20240154170-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-05-09 US disclosed
EP-4349416-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT a-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-10 EP disclosed
CN-117377743-A Isobutyrate compound having enoyloxy group at alpha position, perfume composition and use as perfume 三菱瓦斯化学株式会社 2024-01-09 CN disclosed
CN-113527079-B Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2023-11-14 CN disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
WO-1997048279-A1 AGENTS WITH ANTIFUNGAL ACTIVITY AND METHODS OF USE THEREOF UNIVERSITY OF ALBERTA (US) 1997-12-24 WO disclosed
US-4871837-A DEPROTECTING SILYL-PROTECTED CARBOHYDRATES, AMINO ACIDS, PEPTIDES; LEWIS ACID HYDROLYSIS SYMBICOM AKTIEBOLAG (SE) 1989-10-03 US disclosed
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 EP disclosed
EP-0007643-B1 OXADIAZOLOTRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-15 EP disclosed
US-4336380-A FOR USE AS HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-22 US disclosed
US-4276417-A TREATMENT OF VASCULAR-CONDITION HYPERTENSION HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed
EP-0007643-A1 Oxadiazolotriazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-02-06 EP 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-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME CYP1B1, CPT1A, FAAH2 ALDH1A1 214/4885TSHR 4223/4885ALOX15 24/4885

“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.