SCHEMBL2160934

SCHEMBL2160934

CCC(CO)(CO)COC=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
THRB P10828 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
SCHEMBL2161485 0.85 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL14613262 0.85 THRB (0.35) THRB
SCHEMBL14431069 0.85 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL14302220 0.80 THRB (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3035176 0.77
SCHEMBL13564645 0.77 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1132340 0.77
SCHEMBL1412705 0.77 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL14363147 0.75 THRB (0.39) ALDH1A1THRB
SCHEMBL17425057 0.75 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745236-B2 Method for recovering di-trimethylolpropane by distillation OXEA GMBH (DE) 2017-08-29 US disclosed
US-9115110-B2 Method for recovering di-trimethylolpropane and trimethylolpropane-enriched product streams from the side streams of trimethylolpropane production OXEA GMBH (DE) 2015-08-25 US disclosed
US-9045451-B2 Method for recovering di-trimethylolpropane and trimethylolpropane-enriched product streams from the side streams of trimethylolpropane production OXEA GMBH (DE) 2015-06-02 US disclosed
US-8987527-B2 Process for obtaining trimethylolpropane-enriched product streams from the secondary streams of trimethylolpropane preparation OXEA GMBH (DE) 2015-03-24 US disclosed
US-8987523-B2 Method for obtaining ditrimethylolpropane and trimethylolpropane-enriched product streams from the side-streams in trimethylolpropane production OXEA GMBH (DE) 2015-03-24 US disclosed
US-20140296583-A1 Process for Obtaining Trimethylolpropane-Enriched Product Streams From the Secondary Streams of Trimethylolpropane Preparation OQ CHEMICALS GMBH (DE) 2014-10-02 US disclosed
US-20140296542-A1 Method for Recovering Di-Trimethylolpropane and Trimethylolpropane-Enriched Product Streams from the Side Streams of Trimethylolpropane Production OQ CHEMICALS GMBH (DE) 2014-10-02 US disclosed
US-20140284202-A1 Method for Recovering Di-Trimethylolpropane By Distillation OQ CHEMICALS GMBH (DE) 2014-09-25 US disclosed
US-20140288318-A1 Method for Recovering Di-Trimethylolpropane and Trimethylolpropane-Enriched Product Streams From the Side Streams of Trimethylolpropane Production OXEA GMBH (DE) 2014-09-25 US disclosed
US-20130131391-A1 Method for obtaining ditrimethylolpropane and trimethylolpropane-enriched product streams from the side-streams in trimethylolpropane production OXEA GMBH (DE) 2013-05-23 US disclosed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
US-20070197837-A1 Method for the hydrodecomposition of ammonium formates in polyolcontaining reaction mixtures BASF AKTIENGESELLSCHAFT 2007-08-23 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed
US-6914164-B2 Method for the decomposition of ammonium formates in reaction mixtures containing polyol BASF AG (DE) 2005-07-05 US disclosed
US-20040254408-A1 Method for the decomposition of ammonium formates in reaction mixtures containing polyol BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 US disclosed
US-6692616-B2 Method for purifying trimethylolpropane, which is produced by hydrogenation, by means of continuous distillation BASF AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
US-20030009062-A1 Method for producing trimethylol alkanes BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US disclosed
US-20020189926-A1 Method for purifying trimethylolpropane, which is produced by hydrogenation, by means of continuous distillation BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 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 (7 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-20130131391-A1 Method for obtaining ditrimethylolpropane and trimethylolpropane-enriched product streams from the side-streams in trimethylolpropane production SLC6A12, PHOSPHO1, DLAT ALDH1A1 2498/4885TP53 4827/4885CYP3A4 2412/4885
US-20040254408-A1 Method for the decomposition of ammonium formates in reaction mixtures containing polyol MED1, ELL, AFF4 ALDH1A1 476/4885TP53 4189/4885CYP3A4 478/4885
US-20030009062-A1 Method for producing trimethylol alkanes CA2, HRH2, HRH3 ALDH1A1 300/4885TP53 4739/4885CYP3A4 1420/4885
US-20140288318-A1 Method for Recovering Di-Trimethylolpropane and Trimethylolpropane-Enriched Product Streams From the Side Streams of Trimethylolpropane Production PCTP, TRRAP, DLAT ALDH1A1 2147/4885TP53 4863/4885CYP3A4 3318/4885
US-20140284202-A1 Method for Recovering Di-Trimethylolpropane By Distillation SAT1, DGAT1, FDFT1 ALDH1A1 526/4885TP53 4849/4885CYP3A4 3325/4885
US-20140296542-A1 Method for Recovering Di-Trimethylolpropane and Trimethylolpropane-Enriched Product Streams from the Side Streams of Trimethylolpropane Production PCTP, DVL1, TPR ALDH1A1 3329/4885TP53 4818/4885CYP3A4 3432/4885
US-20140296583-A1 Process for Obtaining Trimethylolpropane-Enriched Product Streams From the Secondary Streams of Trimethylolpropane Preparation MSMO1, PHOSPHO1, THPO ALDH1A1 3574/4885TP53 4874/4885CYP3A4 1265/4885

“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.