SCHEMBL1591739

SCHEMBL1591739

CC(=O)CC(C(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.34
GRIK1 P39086 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
SCHEMBL1591295 0.80 TDP1 (0.43) ALDH1A1TDP1CYP2C19
SCHEMBL27687802 0.76 ALDH1A1 (0.40) ALDH1A1TDP1GRIK1
SCHEMBL9116563 0.76 ALDH1A1 (0.36) ALDH1A1TDP1CYP2C19
SCHEMBL315108 0.75 CHRM1 (0.35) ALDH1A1TDP1CYP2C19
SCHEMBL27627089 0.74 ALDH1A1 (0.39) ALDH1A1TDP1CYP2C19
SCHEMBL383081 0.72 OR51E2 (0.39) ALDH1A1
SCHEMBL11453097 0.71 SLC22A6 (0.36) TDP1CYP2C19
SCHEMBL9830069 0.71 TDP1 (0.36) ALDH1A1TDP1CYP2C19
SCHEMBL3224348 0.70 CYP2C19 (0.58) ALDH1A1TDP1CYP2C19
SCHEMBL11421083 0.70 ALDH1A1 (0.43) ALDH1A1TDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115837063-B Preparation and detection methods of lung force cough pharmaceutical composition 贵州健兴药业有限公司 2023-12-08 CN disclosed
CN-115837063-A Preparation and detection method of improved lung-strength cough medicine composition 贵州健兴药业有限公司 2023-03-24 CN disclosed
CN-101787059-B Method for preparing digalactosyl diacylglycerol and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-10-15 CN disclosed
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
CN-101787059-A Method for preparing digalactosyl diacylglycerol and application thereof UNIV SHENYANG PHARMACEUTICAL 2010-07-28 CN disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
CN-100571758-C Pharmaceutical preparation of treatment infantile anorexia and preparation method thereof and detection method GUIYANG YUNYAN XICHUANG PHARM (CN) 2009-12-23 CN disclosed
CN-101580524-A Method for preparing digalactosyldiacylglycerol and application thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2009-11-18 CN disclosed
CN-1876139-A Medicinal preparation for treating children's fastidium, its preparation process and quality control method GUIYANG YUNYAN XICHUANG PHARM (CN) 2006-12-13 CN disclosed
US-20060166202-A1 Lipid phosphate phosphatases and uses thereof for treating neuronal diseases CHARITE-UNIVERSITATSMEDIZIN BERLIN (DE) 2006-07-27 US disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
EP-1398372-A1 Lipid phosphate phosphatases and uses thereof for treating neuronal diseases Universitätsklinikum Charité an der Humboldt- Universität zu Berlin (DE) 2004-03-17 EP disclosed
US-5910575-A MONOCLONAL ANTIBODY WHICH BINDS TO (125)I-LABELED DERIVATIVES OF CORTISOL-3-CARBOXYMETHYLOXIME-HISTAMINE AND PREFERENTIALLY BINDS TO UNLABELED SYN ISOMER OVER UNLABELED ANTI ISOMER; FOR COMPETITIVE RADIOIMMUNOASSAY IMMUNOTECH (FR) 1999-06-08 US disclosed
US-4501699-A ANTITUMOR ANTIBIOTICS OF THE DAUNORUBICINTYPE LITTON BIONETICS, INC. (US) 1985-02-26 US disclosed
US-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 US disclosed
US-4180679-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-12-25 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 (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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885CYP2C19 184/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885CYP2C19 184/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885CYP2C19 184/4885

“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.