SCHEMBL22043310

SCHEMBL22043310

CCC(C)(C)c1ccc(OCC#N)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH2 P05091 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SLC2A1 P11166 1/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL21718423 0.86 L3MBTL1 (0.40) L3MBTL1MAPTTSHRKDM4EALDH1A1
SCHEMBL22043302 0.85 GSTP1 (0.39) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL22043308 0.84 ALDH1A1 (0.44) L3MBTL1MAPTTSHRKDM4EALDH1A1
SCHEMBL22043136 0.83 NQO1 (0.43) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL22043385 0.82 L3MBTL1 (0.38) L3MBTL1MAPTTSHRKDM4EALDH1A1
SCHEMBL22043061 0.82 L3MBTL1 (0.38) L3MBTL1MAPTTSHRKDM4EALDH1A1
SCHEMBL22043380 0.79 NPC1 (0.32) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22043059 0.78 HRH3 (0.35) KDM4E
SCHEMBL22043402 0.77 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL21719084 0.72 ALDH1A1 (0.47) L3MBTL1MAPTTSHRKDM4EALDH1A1

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-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-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

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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 L3MBTL1 3104/4885MAPT 4211/4885TSHR 2413/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 L3MBTL1 3104/4885MAPT 4211/4885TSHR 2413/4885

“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.