SCHEMBL2553341

SCHEMBL2553341

C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]12)[C@H]1CCC2C3C(C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)CC1C[C@@H]3O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.83
CYP3A4 P08684 4/20 0.83
NR1H4 Q96RI1 3/20 0.83
PDE3A Q14432 1/20 0.83
LMNA P02545 2/20 0.77
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
SLCO1B3 Q9NPD5 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77
USP2 O75604 1/20 0.77
TDP1 Q9NUW8 2/20 0.70
ALDH1A1 P00352 1/20 0.70
ABCB11 O95342 3/20 0.70
SLC10A2 Q12908 2/20 0.66
CYP2C19 P33261 1/20 0.66
CHRM2 P08172 1/20 0.66
ADRA2A P08913 1/20 0.66
ADRA1A P35348 1/20 0.66
ENPP2 Q13822 1/20 0.66
SLC10A1 Q14973 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
SCHEMBL437404 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL25791298 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL25791223 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL23222957 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL21114412 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL23231225 1.00 GPBAR1 (0.83) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL10826386 0.99 GPBAR1 (0.82) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL8408844 0.97 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL1287858 0.97 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL2637801 0.95 GPBAR1 (0.75) GPBAR1CYP3A4NR1H4PDE3ALMNA

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-20110263546-A1 Polyhydroxylated Bile Acids for Treatment of Biliary Disorders BRITISH COLUMBIA CANCER AGENCY (CA) 2011-10-27 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-20110263546-A1 Polyhydroxylated Bile Acids for Treatment of Biliary Disorders NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885CYP3A4 2678/4885NR1H4 1/4885

“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.