SCHEMBL1645649

SCHEMBL1645649

O=C(O)CC(=O)OC1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
CYP2C19 P33261 1/20 0.38
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
EPHX1 P07099 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.36
CYP19A1 P11511 5/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LGALS8 O00214 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Butane SCHEMBL10981019 0.91 NAAA (0.46) NAAACYP2C19EPHX1GAAMAPT
SCHEMBL28385625 0.89 CYP2C19 (0.52) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL2625648 0.89 CYP2C19 (0.52) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL3793744 0.89 CYP2C19 (0.52) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL242453 0.87 NAAA (0.42) NAAACYP2C19EPHX1GAAMAPT
Butane SCHEMBL11712725 0.83 NAAA (0.56) NAAACYP2C19EPHX1MAPTHTT
Butane SCHEMBL10963745 0.82 NAAA (0.57) NAAACYP2C19EPHX1MAPTHTT
Butane SCHEMBL9556223 0.82 NAAA (0.40) NAAAEPHX1GAAMAPTHTT
SCHEMBL11293843 0.78 GAA (0.50) NAAACYP2C19EPHX1GAAMAPT
SCHEMBL7740543 0.78 GAA (0.50) NAAACYP2C19EPHX1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290444-A Simultaneously detecting HClO and H2S double-channel ratio type fluorescent probe 郑州大学 2024-07-05 CN claimed
CN-111233880-B Preparation method of hypochlorite fluorescent probe 江苏大学 2022-08-23 CN claimed
CN-113249014-B Deep sea anticorrosive paint and preparation method thereof 启东海大聚龙新材料科技有限公司 2022-05-31 CN claimed
CN-113372791-A Marine heavy-duty anticorrosive paint and preparation method thereof 启东海大聚龙新材料科技有限公司 2021-09-10 CN claimed
CN-113249014-A Deep sea anticorrosive paint and preparation method thereof 启东海大聚龙新材料科技有限公司 2021-08-13 CN claimed
CN-112574205-A Preparation method of tofacitini water hydrolysis impurities 鲁南制药集团股份有限公司 2021-03-30 CN claimed
CN-111233880-A Preparation method of highly sensitive hypochlorite fluorescent probe with extremely low background fluorescence 江苏大学 2020-06-05 CN claimed
CN-118290444-A Simultaneously detecting HClO and H2S double-channel ratio type fluorescent probe 郑州大学 2024-07-05 CN disclosed
CN-117800921-B Imidazolidine diketone HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-06-11 CN disclosed
CN-117800921-A Imidazolidine diketone HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-04-02 CN disclosed
CN-112574205-B Preparation method of tofacitinib water-soluble impurities 鲁南制药集团股份有限公司 2024-02-02 CN disclosed
CN-112574205-B Preparation method of tofacitinib water-soluble impurities 鲁南制药集团股份有限公司 2024-02-02 CN disclosed
CN-117430509-A Preparation and hydrolysis method of 2-alkyl-2-propyl malonic acid diester 湖南省湘中制药有限公司 2024-01-23 CN disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 EP disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS NAAA 3554/4885CYP2C19 1733/4885LDHA 2687/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS NAAA 3554/4885CYP2C19 1733/4885LDHA 2687/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS NAAA 3254/4885CYP2C19 1193/4885LDHA 2612/4885

“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.