SCHEMBL3258281

SCHEMBL3258281

COc1ccc(CCC(=O)c2ccc(OC3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2O)cn1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
SLC5A1 P13866 11/20 0.59
SLC5A2 P31639 8/20 0.53
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SLC28A3 Q9HAS3 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC28A2 O43868 1/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TYR P14679 1/20 0.48

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
SCHEMBL3258276 1.00 NPC1 (0.70) NPC1RAB9ASLC5A1SLC5A2HPGD
SCHEMBL15339502 0.88 NPC1 (0.65) NPC1RAB9ASLC5A1SLC5A2HPGD
Confusoside SCHEMBL30870423 0.85 NPC1 (0.73) NPC1RAB9ASLC5A1SLC5A2HPGD
Confusoside SCHEMBL31296555 0.85 NPC1 (0.73) NPC1RAB9ASLC5A1SLC5A2HPGD
Confusoside SCHEMBL28640287 0.85 NPC1 (0.73) NPC1RAB9ASLC5A1SLC5A2HPGD
SCHEMBL1734687 0.81 NPC1 (0.52) NPC1RAB9ASLC5A1SLC5A2HPGD
SCHEMBL30870414 0.79 SLC5A1 (0.73) NPC1RAB9ASLC5A1SLC5A2HPGD
SCHEMBL28346617 0.79 NPC1 (0.74) NPC1RAB9ASLC5A1SLC28A3KDM4E
SCHEMBL1734591 0.77 NPC1 (0.46) NPC1RAB9ASLC5A1SLC5A2HPGD
SCHEMBL4948839 0.77 MEN1 (0.55) NPC1RAB9ASLC5A1SLC5A2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 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-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 NPC1 3284/4885RAB9A 1700/4885SLC5A1 86/4885

“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.