SCHEMBL1806743

SCHEMBL1806743

C[Si](C)(C)CNC(=O)c1ccc(C=O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
ADCY8 P40145 2/20 0.38
ADCY1 Q08828 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
DDR1 Q08345 3/20 0.37
PLA2G1B P04054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36

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
SCHEMBL1809010 0.86 NPC1 (0.40) EPHX2ADCY8ADCY1ALDH1A1HPGD
SCHEMBL1809009 0.86 NPC1 (0.40) EPHX2ADCY8ADCY1ALDH1A1HPGD
SCHEMBL15492067 0.82 HPGD (0.49) ALDH1A1HPGDPOLBMEN1PKM
SCHEMBL1806730 0.77 DDR1 (0.41) EPHX2ADCY8ADCY1ALDH1A1POLB
SCHEMBL1807398 0.77 AR (0.50)
SCHEMBL17978937 0.76 NOTUM (0.59) ALDH1A1KDM4E
SCHEMBL988152 0.75 SMN1; SMN2 (0.46) ALDH1A1POLBPTGFR
SCHEMBL21309871 0.73 EPHX2 (0.54) EPHX2ALDH1A1HPGDPOLBPKM
SCHEMBL989140 0.72 ALDH1A1 (0.51) ALDH1A1HPGDPOLBCYP1A2KDM4E
SCHEMBL16528201 0.71 DDR1 (0.77) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563779-A1 INSECTICIDAL ARYLPYRROLINE COMPOUNDS Bayer CropScience AG (DE) 2013-03-06 EP disclosed
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2011054871-A1 INSECTICIDAL ARYLPYRROLINE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-12 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-20110118319-A1 Insecticidal Arylpyrroline Compounds DDT, LAP3, CYP4X1 EPHX2 1218/4885ADCY8 3997/4885ADCY1 1627/4885

“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.