SCHEMBL2166824

SCHEMBL2166824

CC(=O)OCC(C)COS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL5990289 0.82 CA1 (0.59) CA1CA2CA9TSHRALDH1A1
SCHEMBL9756912 0.82 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7749513 0.82 TDP1 (0.38) CA1CA2TDP1TSHRALDH1A1
Acetic Acid SCHEMBL27536519 0.78 TDP1 (0.45) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL14980071 0.77 GAA (0.44) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7968200 0.74 PLA2G2C (0.37) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7302952 0.74 CA1 (0.44) CA1CA2CA9TSHRALDH1A1
SCHEMBL4567267 0.74 TDP1 (0.42) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL15892763 0.74 CA1 (0.50) CA1CA2CA9TSHRALDH1A1
SCHEMBL2168154 0.73 ALDH1A1 (0.41) TDP1TSHRALDH1A1LMNAHSD17B10

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 CA1 1104/4885CA2 737/4885CA9 2044/4885

“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.