SCHEMBL1833452

SCHEMBL1833452

FC(F)(F)C(F)(F)c1cc(C(F)(F)C(F)(F)F)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
TP53 P04637 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13206417 0.89 ALOX15 (0.40) MCL1TP53ALOX15MAPK1HPGD
SCHEMBL1120133 0.85 MCL1 (0.42) MCL1TP53ALOX15MAPK1MEN1
SCHEMBL15271359 0.77 TP53 (0.37) MCL1TP53ALOX15MAPK1MEN1
SCHEMBL30442982 0.71 ALOX15 (0.43) MCL1TP53ALOX15MAPK1MAPT
SCHEMBL5086281 0.71 HCAR2 (0.42) HPGD
Lithium SCHEMBL31258223 0.70 ALOX15 (0.42) TP53ALOX15MAPK1HPGDHSD17B10
Lithium Ion SCHEMBL31258235 0.69 MEN1 (0.33) MCL1TP53ALOX15MAPK1MEN1
SCHEMBL22327730 0.67 HPGD (0.44) TP53ALOX15MAPK1MEN1MAPT
SCHEMBL28965148 0.60 HPGD (0.44) MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1833402 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010094406-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 MCL1 1389/4885TP53 4156/4885ALOX15 3948/4885

“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.