SCHEMBL2168569

SCHEMBL2168569

CC(CCCOC=O)OS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2166724 0.89 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2756236 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14779634 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3439286 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14505815 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3439285 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14778728 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14780210 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7305138 0.76
SCHEMBL2167593 0.76 ALDH1A1 (0.42) ALDH1A1

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 2190/4885KDM4E 1661/4885USP2 4832/4885

“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.