SCHEMBL2297204

SCHEMBL2297204

CCCC(=O)OCC1COC(C)(C)O1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
NLRP3 Q96P20 1/20 0.40
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
ENPP2 Q13822 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL19301013 0.92 CA2 (0.53) CA2LMNAPOLB
SCHEMBL13047224 0.91 CA2 (0.47) CA2LPAR1LPAR3ENPP2LMNA
SCHEMBL9080283 0.89 CA2 (0.50) CA2LPAR1LPAR3LMNAPOLB
SCHEMBL21135532 0.89 CA2 (0.50) CA2LPAR1LPAR3ENPP2LMNA
SCHEMBL6805094 0.88 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL31520002 0.88 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL5936343 0.88 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL8277024 0.88 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL1514211 0.88 CA2 (0.49) CA2LMNAPOLB
SCHEMBL12572608 0.87 CA2 (0.51) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239116-B2 Solvent system and compositions therewith RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2019-03-26 US disclosed
EP-2956513-B1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2017-09-27 EP disclosed
EP-2956513-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH Rhodia Poliamida E Especialidades Ltda (BR) 2015-12-23 EP disclosed
US-20150361281-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2015-12-17 US disclosed
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
WO-2014125357-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2014-08-21 WO disclosed
US-8003357-B2 Acidophilic enzymes HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2011-08-23 US disclosed
EP-2322518-A1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
US-20100196965-A1 Acidophilic Enzymes HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2010-08-05 US disclosed
EP-1859029-A2 ACIDOPHILIC ENZYMES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2007-11-28 EP disclosed
WO-2006094943-A2 ACIDOPHILIC ENZYMES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2006-09-14 WO disclosed
US-20040014161-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2004-01-22 US disclosed
US-20020177180-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2002-11-28 US disclosed
EP-1090139-A1 PH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES Thermogen, Inc. (US) 2001-04-11 EP disclosed
US-6215004-B1 CYCLIZATION OF MERCAPTOACETIC ACID WITH ACETAL IN SOLVENT; SULFIDING EMORY UNIVERSITY 2001-04-10 US disclosed
WO-1999067420-A1 pH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES THERMOGEN, INC. (US) 1999-12-29 WO disclosed
US-5032523-A Preparation of optically active esters LION CORPORATION (JP) 1991-07-16 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-20150361281-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH DECR1, SQLE, DECR2 CA2 2745/4885NLRP3 1427/4885LPAR1 119/4885
US-10239116-B2 Solvent system and compositions therewith DECR1, SQLE, DECR2 CA2 2745/4885NLRP3 1427/4885LPAR1 119/4885

“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.