SCHEMBL3856917

SCHEMBL3856917

C=CCO[C@@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.39
CYP3A4 P08684 2/20 0.38
ABCB1 P08183 3/20 0.37
LGALS9 O00182 1/20 0.36
LGALS1 P09382 1/20 0.36
LGALS3 P17931 1/20 0.36
LGALS7; LGALS7B P47929 1/20 0.36
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
CHRNA7 P36544 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3858031 0.85 ALDH1A1 (0.52) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL3856812 0.82 ALDH1A1 (0.46) ALDH1A1GAACYP3A4LGALS9LGALS1
SCHEMBL14215488 0.81 ALDH1A1 (0.54) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL9293649 0.81 ALDH1A1 (0.54) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL3860526 0.80 ALDH1A1 (0.48) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL3857965 0.80 ALDH1A1 (0.48) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL17849163 0.80 ALDH1A1 (0.48) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL16378350 0.79 ALDH1A1 (0.37) ALDH1A1GAAABCB1LGALS9LGALS1
SCHEMBL3856414 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTPTPN1
SCHEMBL12292236 0.77 ALDH1A1 (0.50) ALDH1A1GAAABCB1LGALS9LGALS1

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 4 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-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 US disclosed
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 2727/4885GAA 2306/4885CYP3A4 3984/4885

“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.