SCHEMBL5154503

SCHEMBL5154503

O=C(c1ccc(OC(F)(F)Br)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.52
MLYCD O95822 14/20 0.49
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL1938699 0.86 CES1 (0.54) CES1MLYCDTRPV1TLR7
SCHEMBL1398393 0.78 CES1 (0.59) CES1MLYCD
SCHEMBL8745850 0.76 PPARA (0.61) CES1ALDH1A1TSHRHSD17B10
SCHEMBL7248002 0.74 CES1 (0.67) CES1MLYCD
SCHEMBL591541 0.74 CES1 (0.50) CES1MLYCDTRPV1
SCHEMBL8848226 0.74 ALOX15 (0.58) CES1MLYCDALDH1A1TSHR
SCHEMBL9541163 0.74 ELANE (0.56) CES1MLYCDALDH1A1HSD17B10
SCHEMBL29177238 0.74 KIF11 (0.56) CES1MLYCDALDH1A1TRPV1
SCHEMBL17216 0.74 CES1 (0.60) CES1MLYCDTRPV1
SCHEMBL28130461 0.74 CES1 (0.60) CES1MLYCDTRPV1

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-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US disclosed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP 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-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent L3MBTL1, L3MBTL3, L3MBTL4 CES1 823/4885MLYCD 2468/4885ALDH1A1 888/4885

“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.