SCHEMBL2548692

SCHEMBL2548692

COC(=O)C(=O)OCCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 5/20 0.36
TET2 Q6N021 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL468011 0.86 TSHR (0.50) ACHETSHRALDH1A1MAPK1THRB
SCHEMBL28825810 0.85 ACHE (0.40) ACHETSHRALDH1A1TGFBR1
SCHEMBL27624206 0.83 TSHR (0.48) ACHETSHRALDH1A1MAPK1THRB
Ethylene Glycol SCHEMBL27957390 0.83 TSHR (0.48) ACHETSHRALDH1A1MAPK1THRB
Ethylene Glycol SCHEMBL7642479 0.80 ALDH1A1 (0.45) TSHRALDH1A1TET2EGLN1TGFBR1
SCHEMBL284254 0.80 ALDH1A1 (0.62) ACHETSHRALDH1A1APEX1THRB
SCHEMBL10714186 0.80 ALDH1A1 (0.62) ACHETSHRALDH1A1APEX1THRB
SCHEMBL2977390 0.79 GAA (0.43) ACHETSHRALDH1A1MAPK1LMNA
SCHEMBL36395 0.78 TSHR (0.41) ACHETSHRALDH1A1THRBGAA
SCHEMBL28002959 0.78 ACHE (0.38) ACHETSHRALDH1A1LMNAAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034384-B2 Nitrite, nitrate reductase material on substrate; biocompatible of medical devices THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-11 US claimed
US-20080226686-A1 GENERATION OF NITRIC OXIDE IN SITU AT SUBSTRATE/BLOOD INTERFACES AND REPRODUCIBLE NITRIC OXIDE SENSOR FOR DETECTING NITROSOTHIOLS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2008-09-18 US claimed
US-8168423-B2 Device for detecting nitrosothiol content in solution THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-01 US disclosed
US-8034384-B2 Nitrite, nitrate reductase material on substrate; biocompatible of medical devices THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-11 US disclosed
US-20100276284-A1 SENSOR FOR DETECTING NITROSOTHIOLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 US disclosed
US-20080226686-A1 GENERATION OF NITRIC OXIDE IN SITU AT SUBSTRATE/BLOOD INTERFACES AND REPRODUCIBLE NITRIC OXIDE SENSOR FOR DETECTING NITROSOTHIOLS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2008-09-18 US disclosed
US-7335383-B2 Generation of nitric oxide in vivo from nitrite, nitrate or nitrosothiols endogenous in blood THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-02-26 US disclosed
US-7122698-B2 Method for producing α-hydroxycarboxylate NIPPON SHOKUBAI CO., LTD. (JP) 2006-10-17 US disclosed
WO-2005094913-A1 GENERATION OF NITRIC OXIDE IN SITU AT SUBSTRATE/BLOOD INTERFACES AND NITRIC OXIDE SENSOR FOR DETECTING NITROSOTHIOLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-10-13 WO disclosed
EP-1571139-A1 PROCESS FOR PRODUCING a-HYDROXYCARBOXYLIC ESTER Nippon Shokubai Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20050090686-A1 Method for producing alpha - hydroxycarboxylate NIPPON SHOKUBAI CO., LTD. (JP) 2005-04-28 US disclosed
US-20040224868-A1 Generation of nitric oxide in situ at substrate/blood interfaces and reproducible nitric oxide sensor for detecting nitrosothiols THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-11-11 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 (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-20050090686-A1 Method for producing alpha - hydroxycarboxylate ADH1C, HCAR2, HAAO ACHE 4025/4885TSHR 4306/4885ALDH1A1 39/4885
US-20080226686-A1 GENERATION OF NITRIC OXIDE IN SITU AT SUBSTRATE/BLOOD INTERFACES AND REPRODUCIBLE NITRIC OXIDE SENSOR FOR DETECTING NITROSOTHIOLS SPR, NOS2, NOS1 ACHE 263/4885TSHR 496/4885ALDH1A1 1233/4885

“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.