SCHEMBL10109462

SCHEMBL10109462

CSc1ccc(OP(=S)(CO)CO)cc1C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 1/20 0.65
HPGD P15428 1/20 0.49
SLC6A4 P31645 6/20 0.39
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
THRB P10828 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GUSB P08236 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
SCHEMBL3621986 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRHSD17B10HPGD
Fenthion SCHEMBL28673475 0.79 ALDH1A1 (0.94) ALDH1A1CYP3A4TSHRHSD17B10HPGD
Fenthion SCHEMBL29441335 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10HPGD
Fenthion SCHEMBL6739014 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10HPGD
Fenthion SCHEMBL26907 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL120468 0.78 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL11671264 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL3621984 0.74 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL11775338 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL5933762 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRHSD17B10HPGD

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 279/4885TSHR 1522/4885

“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.