SCHEMBL3582238

SCHEMBL3582238

[CH2]C(COC(=O)OCC)OC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SOAT1 P35610 1/20 0.44
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL23189506 0.98 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL23189508 0.98 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL4855175 0.83 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8961057 0.78 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2901050 0.78 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL1717365 0.77 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL12310710 0.77 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL28571244 0.76 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL4737398 0.76
SCHEMBL4959482 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3003303-A1 PPAR GAMMA MODULATORS FOR TREATING CYSTIC DISEASES Indiana University Research And Technology Corporation (US) 2016-04-13 EP disclosed
WO-2014197820-A1 PPAR GAMMA MODULATORS FOR TREATING CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2014-12-11 WO disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
EP-1560821-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
EP-1560821-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
WO-2004096982-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-11 WO disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
EP-1343765-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050040-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-06-27 WO 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-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ALDH1A1 2504/4885SOAT1 2501/4885LMNA 2961/4885

“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.