SCHEMBL3856126

SCHEMBL3856126

CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)[C@H]2O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.42
MTOR P42345 1/20 0.42
IDO1 P14902 1/20 0.40
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.37
GSTP1 P09211 2/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 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
SCHEMBL17821298 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL3859887 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL14180109 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL13683691 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL3867701 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL17827490 1.00 PDPK1 (0.42) PDPK1MTORIDO1BCHEMEN1
SCHEMBL7833562 0.93 PDPK1 (0.41) PDPK1MTORIDO1BCHEMEN1
SCHEMBL14180112 0.92 PDPK1 (0.43) PDPK1MTORIDO1BCHEMEN1
SCHEMBL8690255 0.90 PDPK1 (0.41) PDPK1MTORIDO1BCHEMEN1
SCHEMBL14180110 0.90 PDPK1 (0.41) PDPK1MTORIDO1BCHEMEN1

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 PDPK1 405/4885MTOR 1425/4885IDO1 2186/4885

“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.