SCHEMBL435186

SCHEMBL435186

Fc1c[c]ccc1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
CEL P19835 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PTGS2 P35354 1/20 0.31
TDO2 P48775 1/20 0.31
FEN1 P39748 1/20 0.31
ABCB1 P08183 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL5687875 0.98 OPRL1 (0.32) OPRL1NUDT1BACE1CEL
SCHEMBL2319810 0.90 OPRL1 (0.30) OPRL1
SCHEMBL23071387 0.82 CEL (0.35) NUDT1BACE1CELPTGDR2PTGS2
SCHEMBL23071353 0.82 CEL (0.35) NUDT1BACE1CELPTGDR2PTGS2
SCHEMBL5092432 0.82 CEL (0.35) NUDT1BACE1CELPTGDR2PTGS2
SCHEMBL17729656 0.81 RPS6KA3 (0.38) OPRL1
SCHEMBL5726301 0.81
SCHEMBL23071366 0.79 CEL (0.33) CELTDO2
SCHEMBL5725887 0.79 IKBKB (0.33)
SCHEMBL7398897 0.78 TDO2 (0.39) NUDT1BACE1CELTDO2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
US-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
CN-1301305-A Serine protease variants with amino acid substitutions PROCTER & GAMBLE (US) 2001-06-27 CN 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-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 OPRL1 4128/4885NUDT1 2644/4885BACE1 2149/4885

“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.