Taurochenodeoxycholate

Taurochenodeoxycholate

SCHEMBL30341854

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O.[Na+]

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 3/20 0.70
▸ CA2 known ✓ P00918 3/20 0.70
▸ NR3C1 known ✓ P04150 1/20 0.69
▸ GPBAR1 Q8TDU6 8/20 0.84
▸ NR1H4 Q96RI1 5/20 0.84
▸ SLC10A2 Q12908 3/20 0.84
▸ ABCB11 O95342 2/20 0.84
▸ ENPP2 Q13822 2/20 0.84
▸ ABCC4 O15439 1/20 0.84
▸ PLA2G1B P04054 1/20 0.84
▸ TSHR P16473 1/20 0.82
▸ RAB9A P51151 1/20 0.82
▸ LMNA P02545 1/20 0.82
▸ BLM P54132 1/20 0.82
▸ SLC10A1 Q14973 3/20 0.76

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
Taurochenodeoxycholate SCHEMBL10695686 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9222712 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL60947 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL29461502 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL29481129 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL20261732 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL60964 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL10695689 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9068987 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9070059 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12507703-B2 Methods, devices and compositions for preserving human milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-12-30 — — US disclosed
US-20250169516-A1 METHODS, DEVICES AND COMPOSITIONS FOR PRESERVING HUMAN MILK THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-05-29 — — US disclosed
US-12295955-B2 TTP phosphorylation for the identification of personalized medicines KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2025-05-13 — — US disclosed
US-12239142-B2 Methods, devices and compositions for preserving human milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-03-04 — — US disclosed
US-20240390406-A1 PHOSPHORYLATED TRISTETRAPROLIN AS A BIOMARKER AND THERAPEUTIC TARGET FOR ANTIAGING DRUGS KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2024-11-28 — — US disclosed
EP-4467978-A1 PHOSPHORYLATED TRISTETRAPROLIN AS A BIOMARKER AND THERAPEUTIC TARGET FOR ANTI-AGING DRUGS King Faisal Specialist Hospital & Research Centre (SA) 2024-11-27 — — EP disclosed
US-20240268402-A1 Methods, Devices and Compositions for Preserving Human Milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-08-15 — — US disclosed
US-20230310437-A1 TTP PHOSPHORYLATION FOR THE IDENTIFICATION OF PERSONALIZED MEDICINES KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2023-10-05 — — US disclosed
US-11648251-B2 TTP phosphorylation as a biomarker in targeted therapy KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2023-05-16 — — 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-12507703-B2 Methods, devices and compositions for preserving human milk LPL, CEL, LPO CA1 766/4885CA2 958/4885NR3C1 4796/4885

“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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