SCHEMBL21719161

SCHEMBL21719161

COc1c(C)nn(C(C)(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.32
XBP1 P17861 1/20 0.30
MAPK1 P28482 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
SCHEMBL21720537 0.81
SCHEMBL21721031 0.81 TP53 (0.36) MAPTALDH1A1POLBGAASMN1; SMN2
SCHEMBL21720783 0.79
SCHEMBL21720747 0.79
SCHEMBL21720644 0.79
SCHEMBL21721042 0.79 SMN1; SMN2 (0.32) SMN1; SMN2HPGDTP53
SCHEMBL21719134 0.79 SMN1; SMN2 (0.33) MAPTPOLBGAASMN1; SMN2HPGD
SCHEMBL21721057 0.79 MAPT (0.33) MAPTPOLBGAASMN1; SMN2HPGD
SCHEMBL21721006 0.76 HPGD (0.30) SMN1; SMN2HPGD
SCHEMBL21720961 0.76 PTGS2 (0.32)

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 NPC1 3861/4885MAPT 3100/4885RAB9A 3141/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK NPC1 3861/4885MAPT 3100/4885RAB9A 3141/4885

“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.