SCHEMBL179900

SCHEMBL179900

CCOC(=O)C(CC(C)C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MME P08473 1/20 0.35
HPGD P15428 1/20 0.35
MMP8 P22894 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8747403 0.89 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL335607 0.89 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10807025 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL489304 0.84 MME (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7624689 0.83 MME (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6895465 0.81 ALOX15 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL26978010 0.81 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1458577 0.81 MME (0.49) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL4142966 0.81 TP53 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27617570 0.81 SOAT1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077487-B2 Methods of manufacturing benzoquinoline compounds AUSPEX PHARMACEUTICALS, INC. (US) 2024-09-03 US disclosed
CN-114456286-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-114456290-B Catalyst system for olefin polymerization and prepolymerized catalyst composition 中国石油化工股份有限公司 2023-07-21 CN disclosed
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230060294-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS AUSPEX PHARMACEUTICALS LLC 2023-03-02 US disclosed
CN-114456286-A Catalyst system for olefin polymerization and use thereof 中国石油化工股份有限公司 2022-05-10 CN disclosed
CN-114456290-A Catalyst system for olefin polymerization and prepolymerized catalyst composition 中国石油化工股份有限公司 2022-05-10 CN disclosed
US-20200347008-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. 2020-11-05 US disclosed
US-20200331846-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS AUSPEX PHARMACEUTICALS INC (US) 2020-10-22 US disclosed
US-20200331846-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS AUSPEX PHARMACEUTICALS INC (US) 2020-10-22 US disclosed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
EP-1248612-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-09-07 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
US-6509312-B1 To impart a very natural fruity note FIRMENICH SA (CH) 2003-01-21 US disclosed
EP-1248612-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-16 EP disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed
WO-2001049288-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-07-12 WO disclosed
US-4116674-A Process of severely damaging or killing unwanted plants with pyrimidine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 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 (6 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-20200331846-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS SLC18A2, SLC18A1, SLC6A2 ALDH1A1 816/4885LMNA 2209/4885HSD17B10 614/4885
US-20200347008-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS SLC18A2, SLC18A1, SLC6A2 ALDH1A1 816/4885LMNA 2209/4885HSD17B10 614/4885
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN ALDH1A1 353/4885LMNA 3711/4885HSD17B10 744/4885
US-12077487-B2 Methods of manufacturing benzoquinoline compounds SLC18A2, SLC18A1, SLC6A2 ALDH1A1 816/4885LMNA 2209/4885HSD17B10 614/4885
US-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 ALDH1A1 1987/4885LMNA 2284/4885HSD17B10 1174/4885
US-20230060294-A1 METHODS OF MANUFACTURING BENZOQUINOLINE COMPOUNDS SLC18A2, SLC18A1, SLC6A2 ALDH1A1 816/4885LMNA 2209/4885HSD17B10 614/4885

“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.