SCHEMBL949961

SCHEMBL949961

CCC(NC=O)c1cc(C(C)C)c(C)o1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 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
SCHEMBL13076102 0.80
SCHEMBL12914089 0.73 NPC1 (0.37) HTT
SCHEMBL12848813 0.71 CA1 (0.35)
SCHEMBL12573325 0.70 CXCR2 (0.43)
SCHEMBL949953 0.69 SLC6A4 (0.32)
SCHEMBL2019552 0.69 SLC6A4 (0.32)
SCHEMBL12914086 0.65 CYP2A6 (0.34)
Cadaverine Tartrate SCHEMBL950255 0.63 KDM4E (0.37)
SCHEMBL19955216 0.62 ALDH1A1 (0.51)
SCHEMBL951645 0.61 PKM (0.41) HTT

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-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-20110009482-A1 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2011-01-13 US disclosed
EP-2252327-A2 METHODS OF TREATING COPD Schering Corporation (US) 2010-11-24 EP disclosed
US-20100249439-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-09-30 US disclosed
EP-2181102-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-05-05 EP disclosed
EP-2178826-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009073683-A2 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2009-06-11 WO disclosed
EP-2041107-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2009-04-01 EP disclosed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005802-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2008005570-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2008-01-10 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 (3 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 HTT 4221/4885
US-20110009482-A1 METHODS OF TREATING COPD CXCR2, AGTR2, LTB4R2 HTT 4848/4885
US-20100249439-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCL5, CCR1 HTT 653/4885

“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.