SCHEMBL17898739

SCHEMBL17898739

CCCCO[C@H]1CCOC[C@H](NC(=O)c2nccc(OC)c2OCOC(C)=O)C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.31
BCHE P06276 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL15373825 0.94 BCHE (0.32) ABCB1BCHECNR2
SCHEMBL17903366 0.91 CNR2 (0.32) CNR2
SCHEMBL17899008 0.91 NAAA (0.32) CNR2
SCHEMBL17903365 0.91 CNR2 (0.31) CNR2
SCHEMBL17898885 0.89 BCHE (0.33) BCHE
SCHEMBL17898771 0.88 CNR2 (0.31) CNR2
SCHEMBL19091283 0.86 CNR2 (0.32) CNR2
SCHEMBL19091549 0.86 NAAA (0.35)
SCHEMBL17898813 0.85 CNR2 (0.34) ABCB1BCHECNR2
SCHEMBL15373809 0.85 CNR2 (0.33) CNR2

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-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 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 (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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 ABCB1 282/4885BCHE 488/4885CNR2 2409/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS ABCB1 352/4885BCHE 1052/4885CNR2 3169/4885

“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.