Sugi Predict

Sugi Predict / Compounds / Ether

Ether

Ether

SCHEMBL6495162

CCC(CC(=O)O)OC(CC)CC(=O)O.CCOCC

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ MAPK1 P28482 4/20 0.33
▸ GMNN O75496 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PMP22 Q01453 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
SCHEMBL3043003 0.91 LMNA (0.41) LMNASMN1; SMN2ALOX15CYP1A2MAPK1
Ether SCHEMBL6496227 0.83 GPR84 (0.37) LMNASMN1; SMN2ALOX15CYP1A2MAPK1
SCHEMBL2232097 0.80 CYP1A2 (0.39) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL25825 0.77 LMNA (0.38) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL25517 0.75 — —
3-Methylbutanoic Acid SCHEMBL12980581 0.75 TDP1 (0.42) SMN1; SMN2SLC22A6TSHRTDP1FFAR3
SCHEMBL28068435 0.75 MMP12 (0.43) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL3030610 0.73 CHRM1 (0.42) LMNASMN1; SMN2ALOX15CYP1A2MAPK1
3-Hydroxybutyric Acid, (+/-)- SCHEMBL15954513 0.73 SLC22A6 (0.42) LMNASMN1; SMN2MAPTSLC22A6TSHR
Ammonia Solution, Strong SCHEMBL22607979 0.73 MMP12 (0.42) LMNASMN1; SMN2CYP1A2MAPK1GMNN

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-6909014-B2 Intermediates for the synthesis of ether compounds ESPERION THERAPEUTICS, INC. (US) 2005-06-21 — — US disclosed
US-20040082548-A1 Intermediates for the synthesis of ether compounds ESPERION THERAPEUTICS, INC. 2004-04-29 — — 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-20040082548-A1 Intermediates for the synthesis of ether compounds GPR119, PC, PPARG LMNA 1916/4885SMN1; SMN2 2117/4885ALOX15 184/4885

“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.