SCHEMBL3207667

SCHEMBL3207667

COC(C)OC.O=CC=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9064935 0.86
Acetaldehyde SCHEMBL1401397 0.86 TSHR (0.43)
Acetaldehyde SCHEMBL225414 0.86
Acrolein SCHEMBL3133786 0.84 TRPA1 (0.47) ALDH1A1
Formic Acid Methyl Ester SCHEMBL27262749 0.83
Isobutyraldehyde SCHEMBL9790327 0.83
Formamide SCHEMBL3824232 0.83
Formic Acid SCHEMBL28261918 0.83
SCHEMBL11615697 0.80
SCHEMBL1153 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907344-A Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2022-08-16 CN disclosed
CN-114634509-A Full continuous flow preparation method of (-) -tetrahydroberberine alkaloid 复旦大学 2022-06-17 CN disclosed
CN-113735847-B Synthetic preparation method of berberine hydrochloride 四川大学 2022-06-07 CN disclosed
CN-114573576-A Preparation method of diketone compound and preparation method of imidazole derivative 陕西莱特光电材料股份有限公司 2022-06-03 CN disclosed
CN-113735847-A Synthetic preparation method of berberine hydrochloride 四川大学 2021-12-03 CN disclosed
CN-112266378-B Imidazole derivative containing indazole structure and preparation method and application thereof 延边大学 2021-10-12 CN disclosed
CN-112266378-A Imidazole derivative containing indazole structure and preparation method and application thereof 延边大学 2021-01-26 CN disclosed
CN-101282950-B Novel benzothiazolone derivatives ASTRAZENECA AB 2012-09-12 CN disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
US-6013842-A REACTING GLYOXAL AND GLYOXAL BISACETALS WITH AN EXCESS OF AN ALCOHOL IN THE PRESENCE OF AN ACID CATALYST UNTIL EQUILIBRIUM IS ACHIEVED BASF AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
WO-1993014261-A1 METHOD FOR CROSSLINKING INDIVIDUALIZED CELLULOSE FIBRES WEYERHAEUSER COMPANY (US) 1993-07-22 WO disclosed
US-4607126-A Process for the preparation of glyoxal, alkylglyoxals and acetals thereof CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-08-19 US disclosed
US-4395575-A ANTITUMOR, ANTIACNE AGENTS HOFFMANN-LA ROCHE, INC. (US) 1983-07-26 US disclosed
US-4335248-A ANTITUMOR AGENTS AND IN THE TREATMENT OF ACNE HOFFMANN-LA ROCHE INC. (US) 1982-06-15 US disclosed
US-4299995-A ANTITUMOR AGENTS AND TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1981-11-10 US disclosed
US-4231944-A 9-FURYL SUBSTITUTED, 4- OR 6-FLUORO DERIVATIVES OF RETINOIC ACID, ANTITUMOR AGENTS, TREATMENT OF ACNE HOFFMANN-LA ROCHE INC. (US) 1980-11-04 US disclosed
US-4171318-A 9-(SUBSTITUTED PHENYL), 4 OR 6-FLUORO-RETINOIC ACID DERIVATIVES, ANTITUMOR AND ANTIACNE AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-10-16 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 (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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 ALDH1A1 1812/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ALDH1A1 233/4885

“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.