SCHEMBL6789266

SCHEMBL6789266

CCC(=O)OCC(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
SERPINE1 P05121 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 1/20 0.31
CTSK P43235 1/20 0.30
HTT P42858 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
SCHEMBL14472846 0.90 NAAA (0.43) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL22624814 0.89 NAAA (0.36) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27853451 0.84 NAAA (0.39) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL26703700 0.82 SERPINE1 (0.32) GAAMGAMSIMGAM2SERPINE1
SCHEMBL12956462 0.82 NAAA (0.38) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL30175577 0.82 NAAA (0.38) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL6785073 0.82 SERPINE1 (0.32) GAAMGAMSIMGAM2SERPINE1
SCHEMBL12628468 0.82 LMNA (0.44) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL13771559 0.81 LMNA (0.42) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL31110547 0.80 MGAM (0.44) ALDH1A1GAAMGAMSIMGAM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175735-B Antiviral compounds 吉利德科学公司 2025-03-04 CN disclosed
CN-118165034-A Nucleotide compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2024-06-11 CN disclosed
CN-104856679-A Breath analysis systems and methods for asthma, tuberculosis and lung cancer diagnostics and disease management TRICORN TECH CORP 2015-08-26 CN disclosed
WO-2014118251-A1 UV-CURABLE COATING COMPOSITION BAYER MATERIALSCIENCE AG (DE) 2014-08-07 WO disclosed
CN-102656180-A Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION 2012-09-05 CN disclosed
CN-102300502-A Breath analysis system and method for asthma, tuberculosis and lung cancer diagnosis and disease management 2011-12-28 CN disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 NAAA 145/4885ALDH1A1 1918/4885CYP1A2 854/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 NAAA 140/4885ALDH1A1 1987/4885CYP1A2 835/4885

“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.