SCHEMBL2896799

SCHEMBL2896799

COC(C)c1[c]cnn1-c1ncccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSD11B1 P28845 6/20 0.37
TRPV1 Q8NER1 5/20 0.36
CYP17A1 P05093 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2903009 0.82 CYP17A1 (0.35) HSD11B1TRPV1CYP17A1
SCHEMBL2901101 0.82
SCHEMBL2897174 0.77 MALT1 (0.31)
SCHEMBL2895130 0.77
SCHEMBL2900240 0.76 EPHX2 (0.40) EPHX2HRH3HSD11B1TRPV1CYP17A1
SCHEMBL2897752 0.76 EPHX2 (0.47) EPHX2HSD11B1TRPV1CYP17A1GAA
SCHEMBL2901767 0.73 NOTUM (0.33)
SCHEMBL2901987 0.73 HCAR1 (0.35) HSD11B1HTT
SCHEMBL2894797 0.70 ALDH1A1 (0.37) MAPTTSHRHTT
SCHEMBL2897564 0.70 CYP17A1 (0.36) HSD11B1TRPV1CYP17A1

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR EPHX2 2167/4885HRH3 394/4885HSD11B1 4143/4885

“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.