SCHEMBL21718878

SCHEMBL21718878

C=CCOc1cc(F)c(C(C)(C)C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRB2 P07550 2/20 0.38
HTR1A P08908 2/20 0.38
CHRM5 P08912 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 2/20 0.38
KCNH2 Q12809 2/20 0.38
KAT6A Q92794 3/20 0.38
NPC1 O15118 1/20 0.36

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
SCHEMBL15985642 0.81 MAOB (0.40) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL22140314 0.80 MAOB (0.38) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL21718991 0.80 AGER (0.43) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL21718391 0.79 NQO1 (0.41) KAT6ATP53MEN1KMT2ALMNA
SCHEMBL4733374 0.79 MEN1 (0.39) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL21736817 0.78 MAOB (0.39) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL7726630 0.77 MEN1 (0.38) ADRA2AADRA2BADRA2CADRB2NPC1
SCHEMBL24595108 0.76 KAT6A (0.40) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL17514830 0.76 NPC1 (0.39) MAOBHTR2CHTR2BADRA2AADRA2B
SCHEMBL21718923 0.76 MAPT (0.50) NPC1RAB9AMEN1KMT2ALMNA

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 MAOB 241/4885HTR2C 940/4885HTR2B 1522/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP MAOB 192/4885HTR2C 1690/4885HTR2B 1751/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MAOB 357/4885HTR2C 1018/4885HTR2B 1188/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAOB 357/4885HTR2C 1018/4885HTR2B 1188/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 MAOB 241/4885HTR2C 940/4885HTR2B 1522/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP MAOB 192/4885HTR2C 1690/4885HTR2B 1751/4885

“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.