SCHEMBL22140264

SCHEMBL22140264

CCC(C)(C)c1ccc(C(F)(F)F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.41
HTR2A P28223 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
CRHR1 P34998 3/20 0.38
LRRK2 Q5S007 1/20 0.38
NR3C2 P08235 2/20 0.37
HTR2C P28335 1/20 0.37
NR3C1 P04150 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 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
SCHEMBL12894420 0.86 SMN1; SMN2 (0.38) HTR2ARAB9AMEN1ALDH1A1MAPK1
SCHEMBL10183552 0.82 PDE2A (0.44) PDE2AHTR2AL3MBTL1RAB9ALRRK2
SCHEMBL26780223 0.79 LMNA (0.42) HTR2ARAB9AMEN1ALDH1A1MAPK1
SCHEMBL23661917 0.79 CES2 (0.43) PDE2ARAB9AMEN1ALDH1A1MAPK1
SCHEMBL22140215 0.79 PDE2A (0.51) PDE2ARAB9AMEN1MAPK1KMT2A
SCHEMBL21534433 0.77 KIF11 (0.40) PDE2AL3MBTL1RAB9AMEN1ALDH1A1
SCHEMBL24836121 0.77 PDE2A (0.47) PDE2A
SCHEMBL805037 0.77 CA12 (0.50) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL11449777 0.77 ACHE (0.50) L3MBTL1RAB9AMEN1ALDH1A1MAPK1
SCHEMBL21230582 0.76 MAPT (0.50) HTR2ARAB9AHTR2CMEN1ALDH1A1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP PDE2A 1075/4885HTR2A 1338/4885L3MBTL1 2071/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP PDE2A 1075/4885HTR2A 1338/4885L3MBTL1 2071/4885

“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.