SCHEMBL242453

SCHEMBL242453

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 2/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP19A1 P11511 6/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
SERPINE1 P05121 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL21143357 0.90 EPHX2 (0.39) NAAACYP2C19EPHX1HTTGAA
SCHEMBL6058407 0.89 NAAA (0.48) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL240891 0.89 NAAA (0.53) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL1645649 0.87 NAAA (0.38) NAAACYP2C19EPHX1HTTGAA
SCHEMBL242936 0.87 CYP2C19 (0.57) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL17920350 0.87 CYP2C19 (0.57) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL7740543 0.85 GAA (0.50) NAAACYP2C19EPHX1HTTGAA
SCHEMBL5793189 0.85 TDP1 (0.38) NAAACYP2C19EPHX1HTTGAA
SCHEMBL11293843 0.85 GAA (0.50) NAAACYP2C19EPHX1HTTGAA
SCHEMBL5351116 0.85 NAAA (0.37) NAAACYP2C19EPHX1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-115819222-A Preparation method of valproic acid 湖南省湘中制药有限公司 2023-03-21 CN disclosed
CN-114957065-A Malonic acid dithioester compound, preparation method and application thereof 沈阳化工大学 2022-08-30 CN disclosed
CN-111233880-B Preparation method of hypochlorite fluorescent probe 江苏大学 2022-08-23 CN disclosed
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 disclosed
CN-113845424-A Right camphol ester compound and pharmaceutical application thereof 南京医科大学 2021-12-28 CN disclosed
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 disclosed
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 disclosed
CN-111146496-B Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池股份有限公司 2021-07-13 CN disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-7300953-B2 Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound UBE INDUSTRIES, LTD (JP) 2007-11-27 US 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
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran UBE INDUSTRIES, LTD. (JP) 2006-12-21 US disclosed
EP-1671937-A1 METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND Ube Industries, Ltd. (JP) 2006-06-21 EP disclosed
CN-1040105-C Aminoketone derivatives and use thereof MITZUI TOATSU CHEMICALS INC (JP) 1998-10-07 CN disclosed
CN-1049660-A Aminoketone derivative and application thereof MITZUI TOATSU CHEMICALS INC (JP) 1991-03-06 CN 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-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran CBR1, ALDH18A1, ME1 NAAA 30/4885CYP2C19 98/4885EPHX1 2673/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS NAAA 3554/4885CYP2C19 1733/4885EPHX1 2160/4885

“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.