SCHEMBL3667643

SCHEMBL3667643

COC1(C)OCC(=O)CO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL3954537 0.75 ALDH1A1 (0.30)
SCHEMBL4232939 0.75
SCHEMBL177657 0.73
SCHEMBL6950949 0.69
SCHEMBL13905725 0.68 SMN1; SMN2 (0.33)
SCHEMBL15925489 0.65
SCHEMBL8855266 0.63
SCHEMBL31546156 0.63
SCHEMBL9533994 0.63
SCHEMBL11792751 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108646-B1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters MERCK PATENT GMBH (DE) 2010-10-27 EP claimed
EP-2108646-A1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters Merck Patent GmbH (DE) 2009-10-14 EP claimed
EP-2673267-B1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-2673267-B1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-2673267-A1 1,3-DIOXAN-5-ONE COMPOUNDS Merck Patent GmbH (DE) 2013-12-18 EP disclosed
US-20130309184-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130309184-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
WO-2012107158-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed
EP-2108646-B1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
EP-2108646-B1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
EP-2108646-A1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters Merck Patent GmbH (DE) 2009-10-14 EP disclosed
WO-2009030372-A1 BI-FUNCTIONAL DHA DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1934188-A2 ALPHA, ALPHA`-DIHYDROXY KETONE DERIVATIVES AND USE THEREOF AS UV FILTER Merck Patent GmbH (DE) 2008-06-25 EP disclosed
WO-2007039110-A2 α, α′-DIHYDROXY KETONE DERIVATIVES AND USE THEREOF AS UV FILTER MERCK PATENT GMBH (DE) 2007-04-12 WO disclosed
WO-2007039110-A2 α, α′-DIHYDROXY KETONE DERIVATIVES AND USE THEREOF AS UV FILTER MERCK PATENT GMBH (DE) 2007-04-12 WO disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CA1 714/4885CA9 1365/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS CA1 655/4885CA9 1191/4885
US-20130309184-A1 1,3-DIOXAN-5-ONE COMPOUNDS AOX1, OCIAD1, OCIAD2 CA1 3014/4885CA9 2456/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CA1 714/4885CA9 1365/4885

“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.