SCHEMBL10109460

SCHEMBL10109460

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX15 P16050 2/20 0.71
HSD17B10 Q99714 2/20 0.71
CHRM1 P11229 1/20 0.71
ADORA1 P30542 1/20 0.71
TSHR P16473 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TRPA1 O75762 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10148172 0.93 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL10148174 0.93 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL13764654 0.90 ALDH1A1 (0.64) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL10048522 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL27358 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL3705116 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL124812 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL10148170 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL21693725 0.82 ALDH1A1 (0.97) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL30502495 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1

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-8846567-B2 Active compound combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-30 US disclosed
US-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2012-01-26 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-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties ACHE, DDT, BCHE ALDH1A1 424/4885CYP3A4 279/4885ALOX15 3667/4885

“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.