SCHEMBL19614767

SCHEMBL19614767

COc1ccc(COC(C)C(COCC=O)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
BCHE P06276 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
RCE1 Q9Y256 1/20 0.38
HTT P42858 1/20 0.37
TBXAS1 P24557 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ABCB1 P08183 1/20 0.37
POLB P06746 2/20 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
SCHEMBL19633669 1.00 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL19614764 1.00 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL19614769 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL17760955 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL19633476 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL13041088 0.85 LTA4H (0.45) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL13041246 0.85 LTA4H (0.45) LTA4HL3MBTL1TDP1AOC3ALDH1A1
SCHEMBL19628392 0.82 MAPT (0.39) ALDH1A1MEN1KMT2ARCE1HTT
SCHEMBL17892936 0.81 CA1 (0.43) TDP1CA1CA2HTTTBXAS1
SCHEMBL14949762 0.81 LTA4H (0.41) LTA4HL3MBTL1TDP1AOC3ALDH1A1

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 1 patent. 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

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 LTA4H 2653/4885L3MBTL1 3973/4885TDP1 2703/4885

“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.