SCHEMBL8437495

SCHEMBL8437495

CC(=O)OC(=O)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36
ADRA1A P35348 1/20 0.35
PDE4D Q08499 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 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
SCHEMBL3706557 0.97 TSHR (0.57) TSHRALDH1A1HSD17B10TDP1HCAR2
SCHEMBL288698 0.85 TSHR (0.53) TSHRALDH1A1HSD17B10HCAR2ADRA1A
SCHEMBL3483417 0.83 TSHR (0.52) TSHRALDH1A1HSD17B10HCAR2ADRA1A
SCHEMBL28905862 0.80 TSHR (0.82) TSHRALDH1A1HSD17B10TDP1HCAR2
SCHEMBL22733779 0.79 TSHR (0.43) TSHRALDH1A1HSD17B10TDP1CHRM2
SCHEMBL6471616 0.79 TSHR (0.48) TSHRALDH1A1HSD17B10TDP1HCAR2
SCHEMBL36670 0.78 TSHR (0.59) TSHRALDH1A1HSD17B10HCAR2ADRA1A
SCHEMBL5490374 0.78 TSHR (0.46) TSHRALDH1A1HSD17B10HCAR2ADRA1A
Propane SCHEMBL22462424 0.78 TSHR (0.46) TSHRALDH1A1TDP1HCAR2CA12
SCHEMBL4785172 0.77 TSHR (0.46) TSHRALDH1A1TDP1HCAR2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200388880-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE ADDITIVE COMPOUNDS ENEVATE CORPORATION 2020-12-10 US claimed
US-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds ENEVATE CORPORATION (US) 2023-08-29 US disclosed
US-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds ENEVATE CORPORATION (US) 2023-08-29 US disclosed
US-20200388880-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE ADDITIVE COMPOUNDS ENEVATE CORPORATION 2020-12-10 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
WO-1990001481-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1990-02-22 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-20200388880-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE ADDITIVE COMPOUNDS SOST, CA1, DUOX2 TSHR 4386/4885ALDH1A1 1727/4885HSD17B10 189/4885
US-11742519-B2 Silicon-based energy storage devices with electrolyte additive compounds SOST, CA1, DUOX2 TSHR 4386/4885ALDH1A1 1727/4885HSD17B10 189/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 TSHR 81/4885ALDH1A1 591/4885HSD17B10 3340/4885

“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.