SCHEMBL3857965

SCHEMBL3857965

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.44
LGALS9 O00182 1/20 0.44
LGALS1 P09382 1/20 0.44
LGALS3 P17931 1/20 0.44
LGALS7; LGALS7B P47929 1/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 3/20 0.40
BCHE P06276 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ABCB1 P08183 7/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 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
SCHEMBL3860526 1.00 ALDH1A1 (0.48) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL3858031 0.94 ALDH1A1 (0.52) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL12292236 0.93 ALDH1A1 (0.50) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL16406056 0.92 ALDH1A1 (0.46) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL9293649 0.89 ALDH1A1 (0.54) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL14215488 0.89 ALDH1A1 (0.54) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL17849163 0.88 ALDH1A1 (0.48) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL13683839 0.83 ALDH1A1 (0.46) ALDH1A1GAATSHRBCHEAPOBEC3A
SCHEMBL3856812 0.82 ALDH1A1 (0.46) ALDH1A1GAALGALS9LGALS1LGALS3
SCHEMBL13539044 0.82 ALDH1A1 (0.39) ALDH1A1GAALGALS9LGALS1LGALS3

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 2306/4885LGALS9 3142/4885

“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.