SCHEMBL17304977

SCHEMBL17304977

CCCCOC1[C@H](O)C(CO)O[C@@H](OC)[C@H]1OCCCC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.56
▸ MAPK1 P28482 1/20 0.46
▸ LGALS8 O00214 8/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ SLC2A1 P11166 1/20 0.43
▸ GJB2 P29033 1/20 0.40
▸ LGALS3 P17931 2/20 0.39
▸ LGALS4 P56470 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
SCHEMBL13885908 1.00 TNF (0.56) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL15499729 1.00 TNF (0.56) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL16421742 1.00 TNF (0.56) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL14747649 0.95 TNF (0.51) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL16414481 0.95 TNF (0.51) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL16126909 0.91 LGALS8 (0.52) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL14413981 0.91 MAPK1 (0.51) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL25415041 0.90 TNF (0.58) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL10775003 0.90 TNF (0.58) TNFMAPK1LGALS8GBA1SLC2A1
SCHEMBL16254154 0.89 TNF (0.47) TNFMAPK1LGALS8GBA1SLC2A1

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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 — — 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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 TNF 4463/4885MAPK1 3933/4885LGALS8 1233/4885

“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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