SCHEMBL17428281

SCHEMBL17428281

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](CC2CC2)[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.38
KCNA3 P22001 1/20 0.35
EPHX2 P34913 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
SCHEMBL17428279 0.88 GAA (0.40) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17428265 0.88 KMT2A (0.40) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17428251 0.85 KDM1A (0.47) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17428270 0.85 KMT2A (0.41) GAAKMT2AL3MBTL1DRD2
SCHEMBL17428258 0.79 GAA (0.43) GAAKMT2AL3MBTL1
SCHEMBL17245236 0.79 KMT2A (0.40) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17245237 0.79 KMT2A (0.44) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL17428250 0.79 GAA (0.42) GAA
SCHEMBL17428280 0.78 GAA (0.37) GAAKMT2AL3MBTL1DRD2
SCHEMBL17428247 0.78 KMT2A (0.41) GAAKMT2AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007529-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 WO 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 (1 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-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 KDM1A 1840/4885MAOB 2013/4885GAA 1303/4885

“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.