SCHEMBL23937017

SCHEMBL23937017

COC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 7/20 0.63
VDR P11473 2/20 0.62
CYP2C9 P11712 1/20 0.62
HIF1A Q16665 1/20 0.62
GPBAR1 Q8TDU6 1/20 0.62
USP2 O75604 1/20 0.58
ST3GAL1 Q11201 1/20 0.56

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
SCHEMBL18575998 1.00 ST6GAL1 (0.63) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL23923594 1.00 ST6GAL1 (0.63) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL23923592 1.00 ST6GAL1 (0.63) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL23923591 1.00 ST6GAL1 (0.63) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL22855537 0.85 ST6GAL1 (0.47) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL3695768 0.84 VDR (0.68) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL3691830 0.84 VDR (0.68) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL22871979 0.83 VDR (0.82) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL20980004 0.83 VDR (0.82) ST6GAL1VDRCYP2C9HIF1AGPBAR1
SCHEMBL7996253 0.83 VDR (0.82) ST6GAL1VDRCYP2C9HIF1AGPBAR1

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-20210323995-A1 ISOLITHOCHOLIC ACID OR ISOALLOLITHOCHOLIC ACID AND DEUTERATED DERIVATIVES THEREOF FOR PREVENTING AND TREATING CLOSTRIDIUM DIFFICILE-ASSOCIATED DISEASES PHENEX PHARMACEUTICALS AG (DE) 2021-10-21 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-20210323995-A1 ISOLITHOCHOLIC ACID OR ISOALLOLITHOCHOLIC ACID AND DEUTERATED DERIVATIVES THEREOF FOR PREVENTING AND TREATING CLOSTRIDIUM DIFFICILE-ASSOCIATED DISEASES DHCR7, CYP27A1, SLC10A2 ST6GAL1 1260/4885VDR 76/4885CYP2C9 385/4885

“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.