SCHEMBL3389904

SCHEMBL3389904

CCCCCCCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.59
▸ SLC2A1 P11166 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ LGALS8 O00214 1/20 0.46
▸ LGALS3 P17931 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ GJB2 P29033 1/20 0.46
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ CETP P11597 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL4910764 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL8017553 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL6565021 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL1134697 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL4803964 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL4351721 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL23646744 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL4595842 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL736623 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3
SCHEMBL10715427 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1LGALS8LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 — — US disclosed
US-20100330596-A1 LIPOPROTEIN SURFACTANT ROCHE DIABETES CARE, INC. 2010-12-30 — — US disclosed
EP-2164982-A2 LIPOPROTEIN SURFACTANT F.HOFFMANN-LA ROCHE AG (CH) 2010-03-24 — — EP disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 — — US disclosed
WO-2008152380-A2 LIPOPROTEIN SURFACTANT OXFORD BIOSENSORS LIMITED (GB) 2008-12-18 — — WO disclosed
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 — — WO 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-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS CA14, HCAR1, CCKAR GBA1 1462/4885SLC2A1 433/4885MAPK1 2210/4885

“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.

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