SCHEMBL19628419

SCHEMBL19628419

COc1ccc(C[C@H]2OCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]2Oc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CACNA1G O43497 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CACNA1B Q00975 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL19628397 0.94 KMT2A (0.38) KMT2AL3MBTL1MEN1CYP1A2KDM1A
SCHEMBL19628394 0.92 SCN9A (0.37) TP53KMT2AL3MBTL1KDM1AMAOB
SCHEMBL19628408 0.87 KDM1A (0.36) KMT2AL3MBTL1KDM1AMAOBNAAA
SCHEMBL19628398 0.87 CACNA1B (0.36) TP53CYP1A2CACNA1BNAAA
SCHEMBL16605387 0.86 KMT2A (0.38) CACNA1GKMT2AL3MBTL1CACNA1B
SCHEMBL19628402 0.84 REN (0.37) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898808 0.84 CACNA1G (0.35) CACNA1GKMT2AL3MBTL1KDM1AMAOB
SCHEMBL19628393 0.82 KMT2A (0.36) KMT2AL3MBTL1NAAA
SCHEMBL17427146 0.82 KMT2A (0.40) KMT2AL3MBTL1NAAA
SCHEMBL17760967 0.81 KMT2A (0.35) CACNA1GKMT2AMEN1CYP1A2NAAA

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-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 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 (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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 TP53 4452/4885CACNA1G 1514/4885KMT2A 3234/4885

“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.