SCHEMBL3872096

SCHEMBL3872096

C1COCO1.CCOC(C)OCC

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.35

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
SCHEMBL767256 0.91 LMNA (0.55) LMNATHRB
Dioxane SCHEMBL7672675 0.90 LMNA (0.67) LMNATHRB
Fluoride SCHEMBL6012729 0.81
Tetrahydrofuran SCHEMBL2260480 0.80 LMNA (0.60) LMNATHRB
Tetrahydrofuran SCHEMBL9877354 0.80 LMNA (0.60) LMNATHRB
Oxirane SCHEMBL27609056 0.80 LMNA (0.52) LMNATHRB
SCHEMBL2702135 0.78 LMNA (0.57) LMNATHRB
SCHEMBL6867778 0.78 LMNA (0.57) LMNATHRB
SCHEMBL9459 0.78
SCHEMBL2094168 0.78 LMNA (1.00) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1967561-B1 COATING AGENT FOR PLASTIC LABEL, AND PLASTIC LABEL FUJI SEAL INT INC (JP) 2012-08-15 EP claimed
CN-102319549-A Preparation method of acetal type dicationic surfactant UNIV SHANXI 2012-01-18 CN claimed
US-9388105-B2 Production of hydroxy ether hydrocarbons by liquid phase hydrogenolysis of cyclic acetals or cyclic ketals EASTMAN CHEMICAL COMPANY (US) 2016-07-12 US disclosed
US-9382179-B2 Nickel modified catalyst for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2016-07-05 US disclosed
US-9056313-B2 Catalysts for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2015-06-16 US disclosed
US-9000229-B2 Production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2015-04-07 US disclosed
US-20140303404-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2014-10-09 US disclosed
US-8785697-B2 Nickel modified catalyst for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2014-07-22 US disclosed
CN-103608322-A Production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEM CO 2014-02-26 CN disclosed
US-20120330069-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US disclosed
US-20120330066-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US disclosed
EP-1861483-A4 PROCESS FOR PRODUCTION OF A COMPOSITION USEFUL AS A FUEL UNIV MICHIGAN STATE (US) 2009-04-01 EP disclosed
US-7504497-B2 Orally bioavailable compounds and methods for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1861483-A1 PROCESS FOR PRODUCTION OF A COMPOSITION USEFUL AS A FUEL MICHIGAN STATE UNIVERSITY (US) 2007-12-05 EP disclosed
US-20070093446-A1 Orally bioavailable compounds and methods for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2007-04-26 US disclosed
WO-2006093896-A1 PROCESS FOR PRODUCTION OF A COMPOSITION USEFUL AS A FUEL MICHIGAN STATE UNIVERSITY (US) 2006-09-08 WO disclosed
EP-0790971-B1 PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG DU PONT (US) 2001-02-07 EP disclosed
EP-0790971-A1 PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-08-27 EP disclosed
US-5596074-A Method for controlling color formation during polytetramethylene ether glycol production E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-21 US disclosed
WO-1996014281-A1 PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-17 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 (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-20120330069-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS CCNE2, CCNH, HRH2 LMNA 1082/4885THRB 4858/4885
US-20070093446-A1 Orally bioavailable compounds and methods for inhibiting platelet aggregation P2RY12, P2RY13, P2RY11 LMNA 2943/4885THRB 2382/4885
US-20120330066-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS SUV39H1, HDHD5, SUV39H2 LMNA 2309/4885THRB 4164/4885
US-20140303404-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS KAT5, HRH3, KAT8 LMNA 2124/4885THRB 4695/4885

“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.