Chenodiol

Chenodiol

SCHEMBL288251

C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR1H4

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

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 known ✓ Q96RI1 7/20 1.00
GPBAR1 Q8TDU6 14/20 1.00
ABCB11 O95342 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
SLC10A2 Q12908 2/20 1.00
ENPP2 Q13822 2/20 1.00
CYP3A4 P08684 2/20 1.00
LMNA P02545 1/20 1.00
CYP2C19 P33261 1/20 1.00
CHRM2 P08172 1/20 1.00
ADRA2A P08913 1/20 1.00
ADRA1A P35348 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
SLC10A1 Q14973 1/20 1.00
CISD1 Q9NZ45 1/20 1.00
PDE3A Q14432 1/20 0.78

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
Chenodiol SCHEMBL22079588 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL24199134 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL23517166 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL22079179 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL25337643 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL24124587 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL25397934 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL24061005 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL23704676 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
Chenodiol SCHEMBL25337648 1.00 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
US-11117926-B2 Cholane derivatives for use in the treatment and/or prevention of FXR and TGR5/GPBAR1 mediated diseases BAR PHARMACEUTICALS S.R.L. (IT) 2021-09-14 US disclosed
US-20210139528-A1 CRYSTALLINE FORMS OF OBETICHOLIC ACID INTERCEPT PHARMACEUTICALS, INC. 2021-05-13 US disclosed
WO-2020128514-A1 2-FLUORINATED BILE ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NZP UK Limited (GB) 2020-06-25 WO disclosed
EP-2249161-B1 Method of diagnosing asphyxia INFANDX AG (DE) 2020-05-13 EP disclosed
US-20190352328-A1 CHOLANE DERIVATIVES FOR USE IN THE TREATMENT AND/OR PREVENTION OF FXR AND TGR5/GPBAR1 MEDIATED DISEASES BAR PHARMACEUTICALS S.R.L. (IT) 2019-11-21 US disclosed
US-10414791-B2 Methods for preparation of bile acids and derivatives thereof INTERCEPT PHARMACEUTICALS, INC (US) 2019-09-17 US disclosed
US-10407462-B2 Cholane derivatives for use in the treatment and/or prevention of FXR and TGR5/GPBAR1 mediated diseases BAR PHARMACEUTICALS S.R.L. (IT) 2019-09-10 US disclosed
EP-3482797-A1 INHIBITORS OF ALPHA-CRYSTALLIN AGGREGATION FOR THE TREATMENT FOR CATARACT The Regents Of The University Of Michigan (US) 2019-05-15 EP disclosed
EP-2874709-B1 INHIBITORS OF ALPHA-CRYSTALLIN AGGREGATION FOR THE TREATMENT FOR CATARACT UNIV MICHIGAN REGENTS (US) 2018-12-19 EP disclosed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed
EP-2270699-A1 Method for normalization in metabolomics analysis methods with endogenous reference metabolites BIOCRATES Life Sciences AG (AT) 2011-01-05 EP disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed
US-7524836-B2 Nitrooxyderivative steroidal compounds NICOX S.A. (FR) 2009-04-28 US disclosed
US-7524836-B2 Nitrooxyderivative steroidal compounds NICOX S.A. (FR) 2009-04-28 US disclosed
US-20070142342-A1 Pharmaceutical compounds NICOX S.A. 2007-06-21 US disclosed
US-20070142342-A1 Pharmaceutical compounds NICOX S.A. 2007-06-21 US disclosed
US-7186708-B2 Steroidal compounds NICOX S.A. (FR) 2007-03-06 US disclosed
US-7186708-B2 Steroidal compounds NICOX S.A. (FR) 2007-03-06 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 (6 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-20070142342-A1 Pharmaceutical compounds CYP11B2, CYP11B1, CYP2S1 NR1H4 171/4885GPBAR1 94/4885ABCB11 88/4885
US-11117926-B2 Cholane derivatives for use in the treatment and/or prevention of FXR and TGR5/GPBAR1 mediated diseases GPBAR1, NR1H4, SLC10A1 NR1H4 2/4885GPBAR1 1/4885ABCB11 9/4885
US-20190352328-A1 CHOLANE DERIVATIVES FOR USE IN THE TREATMENT AND/OR PREVENTION OF FXR AND TGR5/GPBAR1 MEDIATED DISEASES GPBAR1, NR1H4, SLC10A1 NR1H4 2/4885GPBAR1 1/4885ABCB11 9/4885
US-10407462-B2 Cholane derivatives for use in the treatment and/or prevention of FXR and TGR5/GPBAR1 mediated diseases GPBAR1, NR1H4, SLC10A1 NR1H4 2/4885GPBAR1 1/4885ABCB11 9/4885
US-10414791-B2 Methods for preparation of bile acids and derivatives thereof SLC10A1, NR1H4, SLC10A2 NR1H4 2/4885GPBAR1 4/4885ABCB11 6/4885
US-20210139528-A1 CRYSTALLINE FORMS OF OBETICHOLIC ACID OTC, OSTC, CEL NR1H4 23/4885GPBAR1 25/4885ABCB11 531/4885

“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.