SCHEMBL2708882

SCHEMBL2708882

CC(=O)OCCOCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
STAT3 P40763 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
PSMD10 O75832 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20088146 1.00 ALDH1A1 (0.43) ALDH1A1STAT3CA12CA1CA9
SCHEMBL29768603 0.92 PSMD10 (0.43) ALDH1A1STAT3CA12CA1CA9
SCHEMBL12865316 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL18644929 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL922407 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL18613994 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL478342 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL4379133 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL1145153 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9
SCHEMBL881292 0.87 ALDH1A1 (0.53) ALDH1A1STAT3CA12CA1CA9

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
US-20180110872-A1 MULTI-ARM LINKERS FOR CONSTRUCTING PHARMACEUTICAL MOLECULES Immunwork Inc. (TW) 2018-04-26 US disclosed
US-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
EP-1718599-B1 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RES & ENG CO (US) 2012-05-02 EP disclosed
US-7524990-B2 Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-04-28 US disclosed
EP-1718599-A4 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RES & ENG CO (US) 2008-06-25 EP disclosed
US-20070293705-A1 Synthesis of Sterically Hindered Secondary Aminoether Alcohols EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2007-12-20 US disclosed
CN-1922131-A Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RES & ENG CO (US) 2007-02-28 CN disclosed
EP-1718599-A1 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS ExxonMobil Research and Engineering Company (US) 2006-11-08 EP disclosed
WO-2005082835-A1 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-09-09 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 (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-20180110872-A1 MULTI-ARM LINKERS FOR CONSTRUCTING PHARMACEUTICAL MOLECULES HAVCR2, PLK1, ILK ALDH1A1 3856/4885STAT3 157/4885CA12 3144/4885
US-20070293705-A1 Synthesis of Sterically Hindered Secondary Aminoether Alcohols ADH1A, AADAT, ALDH7A1 ALDH1A1 101/4885STAT3 3210/4885CA12 108/4885

“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.