SCHEMBL21721031

SCHEMBL21721031

COc1c(C)nn(C(C)(C)C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 7/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 0.33
MCOLN3 Q8TDD5 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL21719161 0.81 NPC1 (0.35) TP53SMN1; SMN2MAPTGAAPOLB
SCHEMBL21719127 0.81 MAPT (0.35) TP53SMN1; SMN2MAPTLMNAGAA
SCHEMBL21720468 0.79
SCHEMBL21719734 0.78 SMN1; SMN2 (0.39) TP53SMN1; SMN2MAPTLMNAGAA
SCHEMBL21720892 0.78 MAPT (0.33) TP53SMN1; SMN2MAPTLMNAGAA
SCHEMBL21721042 0.78 SMN1; SMN2 (0.32) TP53SMN1; SMN2HPGD
SCHEMBL21721038 0.78 MAPT (0.35) TP53SMN1; SMN2MAPTLMNAGAA
SCHEMBL21719134 0.78 SMN1; SMN2 (0.33) TP53SMN1; SMN2MAPTGAAPOLB
SCHEMBL21720718 0.78
SCHEMBL21720624 0.78

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-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-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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TP53 3679/4885SMN1; SMN2 3624/4885MAPT 3100/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TP53 3679/4885SMN1; SMN2 3624/4885MAPT 3100/4885

“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.