SCHEMBL19614769

SCHEMBL19614769

C=CCOC[C@@H](OCc1ccccc1)[C@H](C)OCc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 1/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RCE1 Q9Y256 1/20 0.38
ABCB1 P08183 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 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
SCHEMBL19633476 1.00 LTA4H (0.41) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL17760955 1.00 LTA4H (0.41) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL19726543 0.91 ALDH1A1 (0.38) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL17901214 0.91 ALDH1A1 (0.38) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL19714472 0.91 ALDH1A1 (0.38) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL19633669 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1ALDH1A1AOC3
SCHEMBL19614764 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1ALDH1A1AOC3
SCHEMBL19614767 0.88 LTA4H (0.41) LTA4HL3MBTL1TDP1ALDH1A1AOC3
SCHEMBL14368630 0.85 LTA4H (0.45) LTA4HL3MBTL1TDP1ALDH1A1TP53
SCHEMBL13041180 0.85 LTA4H (0.45) LTA4HL3MBTL1TDP1ALDH1A1TP53

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.