SCHEMBL2166966

SCHEMBL2166966

CC(=O)OCCCC(C)OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.38
CHRM1 P11229 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
TBXA2R P21731 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL2166698 0.89 ALOX15 (0.43) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL10937757 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL8027848 0.78 ALDH1A1 (0.32) ALDH1A1ALOX15TSHRLMNA
SCHEMBL2756236 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA2CA1
SCHEMBL14779634 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA2CA1
SCHEMBL139931 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL3439285 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRCA2CA1
SCHEMBL2168154 0.77 ALDH1A1 (0.41) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL3439286 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRCA2CA1
SCHEMBL14505815 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRCA2CA1

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 2190/4885ALOX15 286/4885CHRM1 1331/4885

“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.