SCHEMBL16234422

SCHEMBL16234422

CCCCO[C@@H]1C(C)[C@H](OC)OC(CO)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ LGALS8 O00214 8/20 0.44
▸ SLC2A1 P11166 1/20 0.41
▸ GBA1 P04062 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ LGALS3 P17931 2/20 0.38
▸ LGALS4 P56470 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
SCHEMBL16414481 0.90 TNF (0.51) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL14747649 0.90 TNF (0.51) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL13885908 0.88 TNF (0.56) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL16126909 0.88 LGALS8 (0.52) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL17304977 0.88 TNF (0.56) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL16421742 0.88 TNF (0.56) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL15499729 0.88 TNF (0.56) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL25415041 0.84 TNF (0.58) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL10775003 0.84 TNF (0.58) TNFMAPK1LGALS8SLC2A1GBA1
SCHEMBL14747637 0.84 LGALS8 (0.47) TNFMAPK1LGALS8GBA1GJB2

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-20140336369-A1 PROCESS FOR PREPARING HEPARINOIDS AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE US LLC (US) 2014-11-13 — — 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-20140336369-A1 PROCESS FOR PREPARING HEPARINOIDS AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF HPSE, STS, F11 TNF 1992/4885MAPK1 2146/4885LGALS8 2887/4885

“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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