SCHEMBL2167609

SCHEMBL2167609

CC(=O)OCC#CCCOS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
SCHEMBL2167770 0.89 ALDH1A1 (0.41) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL2167608 0.86 ALDH1A1 (0.35) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL2166172 0.85 ALDH1A1 (0.36) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL12445286 0.81 ALDH1A1 (0.43) ALDH1A1LMNATSHRALOX15HSD17B10
SCHEMBL487316 0.76 ALDH1A1 (0.50) ALDH1A1LMNATSHRALOX15HSD17B10
SCHEMBL2169178 0.74 ALDH1A1 (0.50) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL2167286 0.73 KDM4E (0.40) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL2166850 0.72 ALDH1A1 (0.39) ALDH1A1LMNATSHRHSD17B10
SCHEMBL12445284 0.71 ALDH1A1 (0.50) ALDH1A1LMNATSHRALOX15HSD17B10
SCHEMBL2167190 0.71 ALDH1A1 (0.58) ALDH1A1LMNATSHRKDM4EUSP2

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 2190/4885LMNA 793/4885TSHR 3056/4885

“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.