SCHEMBL3856812

SCHEMBL3856812

CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H](OC(=O)c3ccccc3)[C@H]2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NT5E P21589 1/20 0.43
GAA P10253 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
CHRNA7 P36544 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
BCHE P06276 1/20 0.39
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
IDO1 P14902 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3856414 0.91 ALDH1A1 (0.42) ALDH1A1KMT2ANT5E
SCHEMBL3858031 0.88 ALDH1A1 (0.52) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL14215488 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL9293649 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL3856917 0.82 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1GAACHRNA7
SCHEMBL3857965 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL17849163 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL3860526 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AGAACHRNA7BCHE
SCHEMBL14180109 0.81 PDPK1 (0.42) ALDH1A1SLC6A2KMT2APDPK1MTOR
SCHEMBL17827490 0.81 PDPK1 (0.42) ALDH1A1SLC6A2KMT2APDPK1MTOR

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 ALDH1A1 2727/4885SLC6A2 64/4885SLC6A3 134/4885

“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.