SCHEMBL15966261

SCHEMBL15966261

CCCCO[C@@H]1OC(COC(=O)c2ccccc2)[C@@H](O[C@@H]2OC(COC(=O)c3ccccc3)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H]5OC(C)(C)OC5[C@@H]4O)C(O)[C@@H]3C)[C@@H]2OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.36
▸ LGALS3 P17931 3/20 0.35
▸ SELP P16109 8/20 0.35
▸ LGALS9 O00182 2/20 0.34
▸ LGALS1 P09382 2/20 0.34
▸ LGALS7; LGALS7B P47929 2/20 0.34
▸ SELE P16581 3/20 0.34
▸ MAOB P27338 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ANTXR2 P58335 1/20 0.32

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
SCHEMBL16360907 0.90 LGALS3 (0.41) ALDH1A1HPGDLGALS3SELPLGALS9
SCHEMBL15966246 0.90 MAOB (0.42) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL15966245 0.86 PRKCA (0.38) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL15473995 0.83 LGALS3 (0.47) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL12454166 0.83 LGALS3 (0.47) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL14685786 0.83 LGALS3 (0.47) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL17178184 0.83 ALDH1A1 (0.51) ALDH1A1HPGDLGALS3LGALS9LGALS1
SCHEMBL15966237 0.81 MAOB (0.45) LGALS3SELPLGALS9LGALS1LGALS7; LGALS7B
SCHEMBL15966260 0.80 ANTXR2 (0.42) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAOB
SCHEMBL8575549 0.80 ALDH1A1 (0.49) ALDH1A1HPGDPOLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235850-A1 SYNTHESIS OF HMO CORE STRUCTURES GLYCOM A/S (DK) 2014-08-21 — — 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-20140235850-A1 SYNTHESIS OF HMO CORE STRUCTURES GNE, OGT, GALE ALDH1A1 1436/4885HPGD 237/4885LGALS3 165/4885

“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.

Send feedback