SCHEMBL3454202

SCHEMBL3454202

COC(=O)OCCOCCOC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SERPINE1 P05121 1/20 0.34
ACHE P22303 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 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
SCHEMBL17461587 1.00 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL28642740 0.97 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL28644452 0.97 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL28633622 0.97 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL1128349 0.93 TSHR (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL1469916 0.93 TSHR (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL30179172 0.93 TSHR (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL1471766 0.93 TSHR (0.41) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL47896 0.91 SMN1; SMN2 (0.41) ALDH1A1TSHRHSD17B10SMN1; SMN2ACHE
SCHEMBL1470190 0.91 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10658650-B2 Secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2020-05-19 US disclosed
US-20180241026-A1 SECONDARY BATTERY MURATA MANUFACTURING CO., LTD. (JP) 2018-08-23 US disclosed
US-9755273-B2 Ion conducting fluoropolymer carbonates for alkali metal ion batteries THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-09-05 US disclosed
EP-2253710-B1 PROCESS FOR PREPARING ASYMMETRICAL CARBONATE COMPOUNDS UBE INDUSTRIES (JP) 2016-12-07 EP disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
EP-2253710-A1 ASYMMETRICAL CARBONATE COMPOUND AND MANUFACTURING METHOD THEREOF Ube Industries, Ltd. (JP) 2010-11-24 EP disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 261/4885TSHR 2444/4885HSD17B10 47/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 252/4885TSHR 2452/4885HSD17B10 32/4885

“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.