SCHEMBL21784922

SCHEMBL21784922

O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 3/20 0.43
TTR P02766 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL7109252 1.00 LMNA (0.48) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL34344 0.89
SCHEMBL16197636 0.89 LMNA (0.47) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL4068282 0.85
SCHEMBL4435964 0.82
Cyclohexane SCHEMBL6541885 0.81 ALDH1A1 (0.41) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL25421945 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL453569 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL5519262 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL22362228 0.79 TTR (0.43) LMNASMN1; SMN2CRHBPCRHR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200075998-A1 CYCLIC COMPOUND, ANODE FOR LITHIUM ION SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY MURATA MANUFACTURING CO., LTD. (JP) 2020-03-05 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-20200075998-A1 CYCLIC COMPOUND, ANODE FOR LITHIUM ION SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY CLK2, CLK4, CACNA2D3 LMNA 1726/4885SMN1; SMN2 3935/4885CRHBP 2399/4885

“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.