SCHEMBL2167463

SCHEMBL2167463

CCS(=O)(=O)OCCOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41

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
SCHEMBL2168616 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL20913726 0.84 ALDH1A1 (0.45) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL2167884 0.83 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL2167710 0.83 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL9710901 0.81 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL11199167 0.80 NAAA (0.47) ALDH1A1TSHRGAAHTTDGKA
SCHEMBL9543126 0.80 CA1 (0.41) ALDH1A1TSHRLMNAALOX15CA2
SCHEMBL2169178 0.79 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL16160711 0.79 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL15383922 0.79 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHSD17B10CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 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 (1 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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 ALDH1A1 2190/4885TSHR 3056/4885LMNA 793/4885

“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.