SCHEMBL22855054

SCHEMBL22855054

COCCOCCO[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 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.71
▸ USP2 O75604 2/20 0.71
▸ ABCC4 O15439 1/20 0.69
▸ ST6GAL1 P15907 1/20 0.66
▸ CASP7 P55210 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ GPBAR1 Q8TDU6 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ MDM4 O15151 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ PTPN2 P17706 1/20 0.66
▸ PTPN1 P18031 1/20 0.66
▸ EPHA2 P29317 1/20 0.66
▸ BRCA1 P38398 1/20 0.66

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
SCHEMBL22855037 1.00 VDR (0.71) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855056 1.00 VDR (0.71) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855094 0.97 VDR (0.75) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL25791249 0.96 VDR (0.76) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL25791217 0.96 VDR (0.76) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855102 0.93 VDR (0.71) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855011 0.93 VDR (0.71) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855109 0.93 VDR (0.71) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL26256425 0.93 VDR (0.73) VDRUSP2ABCC4ST6GAL1CASP7
SCHEMBL22855103 0.90 VDR (0.72) VDRUSP2ABCC4ST6GAL1CASP7

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 1927/4885ABCC4 1839/4885

“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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