SCHEMBL3855574

SCHEMBL3855574

COc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@@H]3[C@@H](O)[C@@H]3OC(C)(C)O[C@H]23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
ADAM17 P78536 2/20 0.36
CALM1 P0DP23 1/20 0.36
GJB2 P29033 1/20 0.36
GJA1 P17302 1/20 0.36
TACR1 P25103 1/20 0.36
NAAA Q02083 1/20 0.36
APP P05067 3/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13683695 1.00 MEN1 (0.42) MEN1KMT2AGLANPSR1IDO1
SCHEMBL3858065 1.00 MEN1 (0.42) MEN1KMT2AGLANPSR1IDO1
SCHEMBL3862624 1.00 MEN1 (0.42) MEN1KMT2AGLANPSR1IDO1
SCHEMBL14180097 0.93 MEN1 (0.41) MEN1KMT2AGLANPSR1IDO1
SCHEMBL14180095 0.87 LTA4H (0.40) MEN1KMT2AGLANPSR1TACR1
SCHEMBL3857852 0.87 LTA4H (0.47) MEN1KMT2AGLANPSR1IDO1
SCHEMBL15369380 0.85 KMT2A (0.41) MEN1KMT2AGLANPSR1IDO1
SCHEMBL17827490 0.84 PDPK1 (0.42) MEN1KMT2AIDO1
SCHEMBL3867701 0.84 PDPK1 (0.42) MEN1KMT2AIDO1
SCHEMBL3856126 0.84 PDPK1 (0.42) MEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 US disclosed
US-20060280796-A1 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2006-12-14 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-20060280796-A1 Inositol-based molecular transporters and processes for the preparation thereof SLC2A8, SLC2A1, SLC29A2 MEN1 1554/4885KMT2A 3359/4885GLA 3637/4885

“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.