SCHEMBL21719084

SCHEMBL21719084

Cc1cc(OCC#N)ccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 2/20 0.47
ALDH2 P05091 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
SLC2A1 P11166 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
POLB P06746 1/20 0.34
PDIA6 Q15084 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
SCHEMBL22043308 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL21718983 0.83 KDM4E (0.47) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL21718843 0.82 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL21718907 0.82 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL21719000 0.82 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL21719013 0.82 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL21718423 0.82 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL18560985 0.80 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL19504075 0.80 PDIA6 (0.46) ALDH1A1SMN1; SMN2KDM4EGAAHSD17B10
SCHEMBL8225767 0.79 NQO1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 ALDH1A1 894/4885SMN1; SMN2 3624/4885KDM4E 595/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885KDM4E 595/4885

“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.