Deoxycholic Acid

Deoxycholic Acid

SCHEMBL7546764

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=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 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR1H4

The experimentally established mechanism targets of Deoxycholic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 known ✓ Q96RI1 5/20 0.83
GPBAR1 Q8TDU6 7/20 0.83
SLC10A2 Q12908 3/20 0.83
PDE3A Q14432 2/20 0.83
TBXA2R P21731 1/20 0.83
CYP3A4 P08684 3/20 0.79
TDP1 Q9NUW8 3/20 0.78
LMNA P02545 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
ABCB11 O95342 2/20 0.78
CYP2C19 P33261 1/20 0.78
CHRM2 P08172 1/20 0.78
ADRA2A P08913 1/20 0.78
ADRA1A P35348 1/20 0.78
ENPP2 Q13822 1/20 0.78
SLC10A1 Q14973 1/20 0.78
CISD1 Q9NZ45 1/20 0.78
CASP7 P55210 3/20 0.73
TP53 P04637 2/20 0.73

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
Deoxycholic Acid SCHEMBL246888 1.00 GPBAR1 (0.83) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Cholic Acid SCHEMBL1758945 0.98 GPBAR1 (0.82) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Deoxycholic Acid SCHEMBL16055173 0.95 GPBAR1 (0.75) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Cholic Acid SCHEMBL2467584 0.95 GPBAR1 (0.85) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Cholic Acid SCHEMBL2637799 0.95 GPBAR1 (0.88) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Deoxycholic Acid SCHEMBL2323977 0.93 GPBAR1 (0.93) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL7546767 0.93 GPBAR1 (0.71) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL2369521 0.93 GPBAR1 (0.71) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
Cholic Acid SCHEMBL1287856 0.92 GPBAR1 (0.93) GPBAR1NR1H4SLC10A2PDE3ACYP3A4
Chenodiol SCHEMBL2638869 0.92 GPBAR1 (0.89) GPBAR1NR1H4SLC10A2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076292-A9 CULTURE MEDIA AND CONDITIONS FOR IN VITRO EXPANSION AND/OR MATURATION OF HEPATOCYTES Satellite Biosciences, Inc. (US) 2023-07-20 WO claimed
WO-2023076292-A1 CULTURE MEDIA AND CONDITIONS FOR IN VITRO EXPANSION AND/OR MATURATION OF HEPATOCYTES Satellite Biosciences, Inc. (US) 2023-05-04 WO claimed
US-11530388-B2 Methods of engineering human induced pluripotent stem cells to produce liver tissue University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-12-20 US claimed
US-20240000803-A1 ORAL FORMULATION OF BIOLOGICALLY ACTIVE MATERIAL CONJUGATE HAVING BIOTIN MOIETY, FATTY ACID MOIETY, OR COMBINATION THEREOF COUPLED THERETO D&D PHARMATECH INC. (KR) 2024-01-04 US disclosed
EP-4252781-A1 ORAL FORMULATION OF BIOLOGICALLY ACTIVE MATERIAL CONJUGATE HAVING BIOTIN MOIETY, FATTY ACID MOIETY, OR COMBINATION THEREOF COUPLED THERETO D&D Pharmatech Inc. (KR) 2023-10-04 EP disclosed
WO-2023076292-A9 CULTURE MEDIA AND CONDITIONS FOR IN VITRO EXPANSION AND/OR MATURATION OF HEPATOCYTES Satellite Biosciences, Inc. (US) 2023-07-20 WO disclosed
WO-2023076292-A1 CULTURE MEDIA AND CONDITIONS FOR IN VITRO EXPANSION AND/OR MATURATION OF HEPATOCYTES Satellite Biosciences, Inc. (US) 2023-05-04 WO disclosed
US-11530388-B2 Methods of engineering human induced pluripotent stem cells to produce liver tissue University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-12-20 US disclosed
WO-2021060127-A1 LIPOPOLYSACCHARIDE PRODUCTION METHOD 有限会社バイオメディカルリサーチグループ 2021-04-01 WO disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
EP-1210359-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.p.A. (IT) 2002-06-05 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 WO disclosed
WO-2001016157-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.P.A. (IT) 2001-03-08 WO disclosed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 EP disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 WO disclosed
EP-0462071-B1 Pharmaceutical resorption-improved somatostatin compositions, their preparation and use SANDOZ LTD (CH) 1995-02-01 EP disclosed
EP-0462071-A1 Pharmaceutical resorption-improved somatostatin compositions, their preparation and use SANDOZ LTD. (CH) 1991-12-18 EP 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-20240000803-A1 ORAL FORMULATION OF BIOLOGICALLY ACTIVE MATERIAL CONJUGATE HAVING BIOTIN MOIETY, FATTY ACID MOIETY, OR COMBINATION THEREOF COUPLED THERETO FABP2, FABP1, ALOX15B NR1H4 239/4885GPBAR1 209/4885SLC10A2 32/4885

“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.