Lagodeoxycholate

Lagodeoxycholate

SCHEMBL12575822

CC(CCC(=O)O)C1CC[C@H]2C3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 1.00
▸ NR1H4 Q96RI1 3/20 1.00
▸ PDE3A Q14432 2/20 1.00
▸ SLC10A2 Q12908 2/20 1.00
▸ TBXA2R P21731 1/20 1.00
▸ MAPT P10636 3/20 0.80
▸ MAPK1 P28482 3/20 0.80
▸ LMNA P02545 3/20 0.80
▸ USP2 O75604 2/20 0.80
▸ MEN1 O00255 1/20 0.80
▸ KMT2A Q03164 1/20 0.80
▸ CASP7 P55210 3/20 0.77
▸ TP53 P04637 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ MDM4 O15151 1/20 0.77
▸ HSPD1 P10809 1/20 0.77
▸ VDR P11473 1/20 0.77

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
Lagodeoxycholate SCHEMBL12998476 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL11967213 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL22415902 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL22415770 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL24001452 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL5150699 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL24032585 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL24124431 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL23781732 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R
Lagodeoxycholate SCHEMBL22778334 1.00 GPBAR1 (1.00) GPBAR1NR1H4PDE3ASLC10A2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383831-B2 Dye for dye-sensitized solar cell, semiconductor electrode, and dye-sensitized solar cell MITSUBISHI PAPER MILLS LIMITED (JP) 2013-02-26 — — US disclosed
US-8383831-B2 Dye for dye-sensitized solar cell, semiconductor electrode, and dye-sensitized solar cell MITSUBISHI PAPER MILLS LIMITED (JP) 2013-02-26 — — US disclosed
US-20110155241-A1 DYE FOR DYE-SENSITIZED SOLAR CELL, SEMICONDUCTOR ELECTRODE, AND DYE-SENSITIZED SOLAR CELL MITSUBISHI PAPER MILLS LIMITED (JP) 2011-06-30 — — US disclosed
US-7795529-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device MITSUBISHI PAPER MILLS LTD. (JP) 2010-09-14 — — US disclosed
US-7615640-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device Mitsubishi PaperMillsLtd. (JP) 2009-11-10 — — US disclosed
US-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-06-26 — — US disclosed
US-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-06-26 — — US disclosed
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-04-17 — — 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 (3 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-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 GPBAR1 4404/4885NR1H4 3380/4885PDE3A 4411/4885
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 GPBAR1 4404/4885NR1H4 3380/4885PDE3A 4411/4885
US-20110155241-A1 DYE FOR DYE-SENSITIZED SOLAR CELL, SEMICONDUCTOR ELECTRODE, AND DYE-SENSITIZED SOLAR CELL CRY1, CRY2, TYR GPBAR1 4627/4885NR1H4 4466/4885PDE3A 4617/4885

“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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