SCHEMBL13997516

SCHEMBL13997516

COc1ccc(CO[C@H]2[C@H](C)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
TACR1 P25103 1/20 0.44
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
BCHE P06276 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL13109622 0.93 LTA4H (0.47) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL7923624 0.93 LTA4H (0.53) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL2420914 0.93 LTA4H (0.53) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL13109617 0.92 LTA4H (0.46) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL7426465 0.91 LTA4H (0.55) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL7921740 0.90 LTA4H (0.53) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL13109616 0.90 LTA4H (0.53) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL9445833 0.90 LTA4H (0.53) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL13109621 0.89 TACR1 (0.46) LTA4HNPC1RAB9ATACR1PDPK1
SCHEMBL13997528 0.88 LTA4H (0.51) LTA4HNPC1RAB9ATACR1PDPK1

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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 LTA4H 1342/4885NPC1 1660/4885RAB9A 2389/4885

“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.