SCHEMBL1836652

SCHEMBL1836652

CNc1ccc(Cn2cc(C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)n2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.35
KLK1 P06870 2/20 0.35
GRIA2 P42262 9/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL1833832 0.87 KLKB1 (0.35) KLKB1KLK1GRIA2PTGDR2
SCHEMBL1838061 0.82 SKP2 (0.36) KLKB1KLK1GRIA2
SCHEMBL1832574 0.78 TSHR (0.36) KLKB1KLK1
SCHEMBL2161248 0.77 KLKB1 (0.37) KLKB1KLK1GRIA2
SCHEMBL2889517 0.74 KLKB1 (0.35) KLKB1KLK1GRIA2
SCHEMBL2810810 0.74 PTGDR2 (0.43) KLKB1KLK1PTGDR2
SCHEMBL2161221 0.73 KLKB1 (0.35) KLKB1GRIA2
SCHEMBL1832731 0.73 LMNA (0.38) KLKB1
SCHEMBL2161844 0.73 MAPT (0.37) KLKB1KLK1PTGDR2
SCHEMBL1833544 0.72 HTR1A (0.33) KLKB1GRIA2

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 3 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-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 KLKB1 4858/4885KLK1 4844/4885GRIA2 3485/4885

“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.