SCHEMBL21718917

SCHEMBL21718917

CSc1ccc(C(C)(C)C)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
MCL1 Q07820 1/20 0.32
HPN P05981 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
CRHR1 P34998 2/20 0.32
ALDH1A1 P00352 3/20 0.30
FABP4 P15090 1/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP1A2 P05177 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15097482 0.79 FABP4 (0.33) FABP4
SCHEMBL22043294 0.78 CRHR1 (0.33) CRHR1HSD17B10
SCHEMBL22388587 0.77 ALOX15 (0.33) MAPTALOX15MCL1HPNSIRT5
SCHEMBL12083464 0.77 ALDH1A1 (0.38) MAPTALOX15MCL1HPNSIRT5
SCHEMBL21718799 0.75 MAPT (0.32) MAPTALOX15MCL1HPNSIRT5
SCHEMBL12083400 0.75 KMT2A (0.35) MAPTALOX15MCL1HPNSIRT5
SCHEMBL12083463 0.75 MAPT (0.32) MAPTALOX15MCL1HPNSIRT5
SCHEMBL12732927 0.73 ALOX15 (0.42) MAPTALOX15ALDH1A1KDM4ECYP1A2
SCHEMBL19753577 0.72 HPGD (0.44) ALOX15ALDH1A1CYP1A2SMN1; SMN2GAA
SCHEMBL11438490 0.71 ALDH1A1 (0.43) MAPTALOX15ALDH1A1CYP1A2SMN1; SMN2

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 MAPT 3100/4885ALOX15 733/4885MCL1 3844/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAPT 3100/4885ALOX15 733/4885MCL1 3844/4885

“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.