SCHEMBL22855055

SCHEMBL22855055

CCCCOCCOCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.71
▸ USP2 O75604 1/20 0.71
▸ ST6GAL1 P15907 1/20 0.66
▸ ABCC4 O15439 1/20 0.64
▸ TP53 P04637 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CASP7 P55210 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61

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
SCHEMBL22855501 0.93 VDR (0.72) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855103 0.93 VDR (0.72) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855112 0.93 VDR (0.72) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855053 0.93 VDR (0.72) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855058 0.92 VDR (0.73) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855082 0.89 VDR (0.69) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855089 0.87 VDR (0.79) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL2860648 0.87 VDR (0.82) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL2860645 0.87 VDR (0.82) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL13209452 0.87 VDR (0.82) VDRUSP2ST6GAL1ABCC4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020260558-A1 3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 — — WO disclosed
US-20160326086-A1 4-HYDROXYBUTYRIC ACID ANALOGS SUN PHARMACEUTICAL INDUSTRIES, INC. 2016-11-10 — — 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-20160326086-A1 4-HYDROXYBUTYRIC ACID ANALOGS HCRTR2, HCRTR1, HTR2B VDR 2829/4885USP2 1927/4885ST6GAL1 2688/4885

“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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