SCHEMBL21719010

SCHEMBL21719010

C=CCOc1ccc(C(C)(C)C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
MAOA P21397 1/20 0.41
AGER Q15109 1/20 0.41
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL472108 0.83 MAPT (0.43) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL30331506 0.82 ALDH1A1 (0.50) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL21719006 0.82 MAPT (0.42) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL9638077 0.82 ALDH1A1 (0.50) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL21718975 0.82 MAPT (0.42) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL21718995 0.82 MAPT (0.42) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL21718991 0.82 AGER (0.43) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL22140233 0.81 ALDH1A1 (0.52) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL27762926 0.80 ALDH1A1 (0.53) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL19504075 0.80 PDIA6 (0.46) ALDH1A1GAAMAPTMEN1KMT2A

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 ALDH1A1 525/4885GAA 4169/4885HPGD 829/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885GAA 1772/4885HPGD 159/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885GAA 1772/4885HPGD 159/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885GAA 4169/4885HPGD 829/4885

“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.