SCHEMBL21719033

SCHEMBL21719033

COCCOc1cccc(OC)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL21719132 0.84 HTR1B (0.40) SMN1; SMN2L3MBTL1TDP1GAARAB9A
SCHEMBL21718431 0.84 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPK1TDP1LMNA
SCHEMBL21718433 0.83 HTR7 (0.40) SMN1; SMN2L3MBTL1MAPK1TDP1LMNA
SCHEMBL21719109 0.83 L3MBTL1 (0.45) SMN1; SMN2L3MBTL1MAPK1TDP1LMNA
SCHEMBL21718883 0.83 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1MAPK1TDP1RAB9A
SCHEMBL21718432 0.83 L3MBTL1 (0.35) SMN1; SMN2L3MBTL1MAPK1LMNAHTR2C
SCHEMBL3438872 0.82 CA1 (0.52) SMN1; SMN2L3MBTL1MAPK1TDP1LMNA
SCHEMBL18475446 0.81 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1TDP1GAAHTR2C
SCHEMBL22888789 0.81 MAPT (0.43) SMN1; SMN2L3MBTL1MAPK1TDP1GAA
SCHEMBL21718435 0.79 AR (0.47) SMN1; SMN2MAPK1LMNAGAAHTR2B

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 SMN1; SMN2 4427/4885L3MBTL1 3104/4885MAPK1 469/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885L3MBTL1 3199/4885MAPK1 696/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885L3MBTL1 3199/4885MAPK1 696/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 SMN1; SMN2 4427/4885L3MBTL1 3104/4885MAPK1 469/4885

“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.

Send feedback