SCHEMBL21718906

SCHEMBL21718906

COc1cc(F)c(C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 2/20 0.39
CYP11B2 P19099 3/20 0.38
NNMT P40261 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP11B1 P15538 2/20 0.33
ERN1 O75460 1/20 0.33
RPS6KA3 P51812 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 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
SCHEMBL16472498 0.89 ALOX5AP (0.39) ALOX5APFEN1CYP11B2NNMTCA1
SCHEMBL22950665 0.82 NNMT (0.38) ALOX5APFEN1NNMTCA1CA2
SCHEMBL38656591 0.81 CYP11B2 (0.34) ALOX5APFEN1CYP11B2NNMTCYP11B1
SCHEMBL38655455 0.80 NNMT (0.40) CYP11B2NNMTERN1MEN1KMT2A
SCHEMBL38656465 0.79 PLCG1 (0.40) NNMTERN1MEN1KMT2ALMNA
SCHEMBL10201866 0.78 NNMT (0.47) ALOX5APFEN1NNMTCA1CA2
SCHEMBL21718448 0.77 MEN1 (0.35) ALOX5APFEN1NNMTCA1CA2
SCHEMBL21719036 0.75 KDM4E (0.32) ALOX5APFEN1CA1CA2ALOX15
SCHEMBL22564748 0.74 NNMT (0.43) ALOX5APFEN1NNMTCA1CA2
SCHEMBL22962826 0.74 ALOX5AP (0.34) ALOX5APFEN1NNMTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (6 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 ALOX5AP 1068/4885FEN1 1340/4885CYP11B2 401/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALOX5AP 964/4885FEN1 618/4885CYP11B2 515/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALOX5AP 671/4885FEN1 380/4885CYP11B2 190/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALOX5AP 671/4885FEN1 380/4885CYP11B2 190/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALOX5AP 1068/4885FEN1 1340/4885CYP11B2 401/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALOX5AP 964/4885FEN1 618/4885CYP11B2 515/4885

“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.