SCHEMBL5969799

SCHEMBL5969799

C[C@H](CCC(=O)OCCCCO[N+](=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.70
▸ NR1H4 Q96RI1 4/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ ABCB11 O95342 2/20 0.66
▸ SLC10A2 Q12908 2/20 0.66
▸ LMNA P02545 1/20 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
▸ TDP1 Q9NUW8 1/20 0.66
▸ ENPP2 Q13822 1/20 0.66
▸ SLC10A1 Q14973 1/20 0.66
▸ CISD1 Q9NZ45 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CA1 P00915 4/20 0.65
▸ CA2 P00918 4/20 0.65
▸ NR3C1 P04150 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
SCHEMBL19360955 0.90 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19360886 0.90 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL5970289 0.89 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL9465939 0.89 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL5499915 0.87 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19748787 0.87 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19360880 0.87 GPBAR1 (0.85) GPBAR1NR1H4MEN1KMT2AABCB11
Cholic Acid Ethyl Esters SCHEMBL24998394 0.85 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
Cholic Acid Ethyl Esters SCHEMBL19685160 0.85 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL12103762 0.84 GPBAR1 (0.63) GPBAR1NR1H4MEN1KMT2AABCB11

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
US-20060094664-A1 Deoxycholic acid derivatives for the treatment of acute dysfunctions of portal and hepatic venous circulation NICOX S.A. (FR) 2006-05-04 — — US claimed
US-20060094664-A1 Deoxycholic acid derivatives for the treatment of acute dysfunctions of portal and hepatic venous circulation NICOX S.A. (FR) 2006-05-04 — — 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-20060094664-A1 Deoxycholic acid derivatives for the treatment of acute dysfunctions of portal and hepatic venous circulation SLC10A1, SLC10A2, NR1H4 GPBAR1 7/4885NR1H4 3/4885MEN1 4178/4885

“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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