SCHEMBL5154124

SCHEMBL5154124

CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OC(C)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
CYP3A4 P08684 2/20 0.76
ALOX15 P16050 2/20 0.76
CHRM1 P11229 1/20 0.76
ADORA1 P30542 1/20 0.76
HSD17B10 Q99714 1/20 0.76
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL714819 0.89 ALDH1A1 (0.81) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
SCHEMBL12613908 0.89 ALDH1A1 (0.81) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL27358 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL124812 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL3705116 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
SCHEMBL1692227 0.85 ALDH1A1 (0.85) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL21693725 0.85 ALDH1A1 (0.97) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
SCHEMBL1527195 0.85 ALDH1A1 (0.74) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL6737957 0.84 ALDH1A1 (0.94) ALDH1A1CYP3A4ALOX15CHRM1ADORA1
Malathion SCHEMBL4749884 0.84 ALDH1A1 (0.94) ALDH1A1CYP3A4ALOX15CHRM1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862636-B1 MALATHION CARBOXYLESTERASE COMMW SCIENT IND RES ORG (AU) 2007-01-03 EP disclosed
US-7091025-B2 Malathion carboxylesterase COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-08-15 US disclosed
EP-0862636-A4 MALATHION CARBOXYLESTERASE COMMW SCIENT IND RES ORG (AU) 2004-10-27 EP disclosed
US-20030143711-A1 Malathion carboxylesterase COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-07-31 US disclosed
US-6235515-B1 NUCLEOTIDE AND AMINO ACID SEQUENCES; FOR RECOMBINANT CULTURE PRODUCTION; BIOREMEDIATION OF WATER SUPPLIES AND SOILS THE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2001-05-22 US disclosed
EP-0862636-A1 MALATHION CARBOXYLESTERASE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-09-09 EP disclosed
WO-1997019176-A1 MALATHION CARBOXYLESTERASE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-05-29 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-20030143711-A1 Malathion carboxylesterase METAP1, METAP2, LAP3 ALDH1A1 2593/4885CYP3A4 386/4885ALOX15 2592/4885

“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.