SCHEMBL7597785

SCHEMBL7597785

O=S(=O)(Oc1c(C(F)(F)F)cccc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CES1 P23141 1/20 0.37
HSD11B1 P28845 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
SLC22A12 Q96S37 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
KAT6A Q92794 1/20 0.34
HTR1D P28221 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7598091 0.90 KMT2A (0.36) KMT2AMEN1CES1HSD11B1SLC22A12
SCHEMBL2460558 0.85 HSD11B1 (0.39) HSD11B1DRD2DRD3DRD1DRD4
SCHEMBL15453749 0.80 KMT2A (0.37) KMT2AMEN1CES1HSD11B1SLC22A12
SCHEMBL6207099 0.78 PPARG (0.43) KMT2AMEN1DRD2DRD3SLC22A12
SCHEMBL15765824 0.78 KMT2A (0.36) KMT2AMEN1CES1SLC22A12ALDH1A1
SCHEMBL7601041 0.78 DRD2 (0.39) DRD2DRD3SLC22A12DRD1DRD4
SCHEMBL66020 0.78 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL15453939 0.77 CTSS (0.38) KMT2AMEN1CES1GAA
Iodide SCHEMBL7773907 0.77 PPARG (0.42) KMT2AMEN1DRD2DRD3SLC22A12
SCHEMBL3082218 0.77 MRGPRX4 (0.46) DRD2DRD3DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 KMT2A 2367/4885MEN1 639/4885CES1 2395/4885

“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.