SCHEMBL21718907

SCHEMBL21718907

CC(C)(C)c1ccc(OCC#N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 3/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PLA2G7 Q13093 2/20 0.34
GPER1 Q99527 1/20 0.34

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
SCHEMBL21718944 0.84 GSTP1 (0.41) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL21719084 0.82 ALDH1A1 (0.47) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL21718843 0.81 L3MBTL1 (0.40) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL21718423 0.81 L3MBTL1 (0.40) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL21719013 0.81 L3MBTL1 (0.40) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL21719000 0.81 L3MBTL1 (0.40) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL18120375 0.80 NQO1 (0.46) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL19532869 0.80 KIF11 (0.36) MAPTALDH1A1KIF11POLBCYP11B1
SCHEMBL16473860 0.78 PDK2 (0.41) MAPTKIF11POLBARCYP2D6
SCHEMBL8432329 0.78 SMN1; SMN2 (0.49) L3MBTL1MAPTTSHRSMN1; SMN2KDM4E

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 4 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-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
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 (4 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK L3MBTL1 3199/4885MAPT 3100/4885TSHR 2711/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK L3MBTL1 3199/4885MAPT 3100/4885TSHR 2711/4885
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.