SCHEMBL3899452

SCHEMBL3899452

C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 0.79
▸ EPHA2 P29317 3/20 0.79
▸ HSD17B10 Q99714 3/20 0.79
▸ TDP1 Q9NUW8 3/20 0.79
▸ AKR1B10 O60218 2/20 0.79
▸ AKR1B1 P15121 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ EFNA1 P20827 1/20 0.79
▸ PSEN1 P49768 1/20 0.79
▸ PSEN2 P49810 1/20 0.79
▸ APH1B Q8WW43 1/20 0.79
▸ NCSTN Q92542 1/20 0.79
▸ APH1A Q96BI3 1/20 0.79
▸ PSENEN Q9NZ42 1/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ CASP7 P55210 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ BLM P54132 2/20 0.58

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
SCHEMBL18575735 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL13988211 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7711337 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19444905 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL14092766 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL13988803 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL4998834 1.00 GPBAR1 (0.79) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7991006 0.91 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
Ursocholanic Acid SCHEMBL25023120 0.88 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1AKR1B10
Ursocholanic Acid SCHEMBL18200112 0.88 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4171352-A Quantitative evaluation of enteric microbial overgrowth POLYSCIENCES, INC. (US) 1979-10-16 — — US claimed
US-10000526-B2 Optimized synthesis of pure, non-polymorphic, crystalline bile acids with defined particle size DR. FALK PHARMA GMBH (DE) 2018-06-19 — — US disclosed
US-20170057990-A1 Optimized Synthesis Of Pure, Non-Polymorphic, Crystalline Bile Acids With Defined Particle Size DR. FALK PHARMA GMBH (DE) 2017-03-02 — — US disclosed
US-9512167-B2 Optimized synthesis of pure, non-polymorphic, crystalline bile acids with defined particle size DR. FALK PHARMA GMBH (DE) 2016-12-06 — — US disclosed
US-20140050791-A1 Optimized Synthesis Of Pure, Non-Polymorphic, Crystalline Bile Acids With Defined Particle Size DR. FALK PHARMA GMBH (DE) 2014-02-20 — — US disclosed
EP-2646457-A1 OPTIMIZED SYNTHESIS OF PURE, NON-POLYMORPHIC, CRYSTALLINE BILE ACIDS WITH DEFINED PARTICLE SIZE Dr. Falk Pharma Gmbh (DE) 2013-10-09 — — EP disclosed
WO-2012072689-A1 OPTIMIZED SYNTHESIS OF PURE, NON-POLYMORPHIC, CRYSTALLINE BILE ACIDS WITH DEFINED PARTICLE SIZE DR. FALK PHARMA GMBH (DE) 2012-06-07 — — WO disclosed
US-7601708-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2009-10-13 — — US disclosed
US-20080171729-A1 Use Of A Steroid For Enhancement Of Skin Permeability NOVARTIS AG 2008-07-17 — — US disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 — — WO disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 — — WO disclosed
EP-1773336-A1 USE OF A STEROID FOR ENHANCEMENT OF SKIN PERMEABILITY Novartis AG (CH) 2007-04-18 — — EP disclosed
US-7147859-B2 Application of phytosterols (and their isomers), folic acid, cyanocobalamin and pyridoxin in dietetic (alimentary) fibers LABORATORIOS BIOSINTETICA LTDA. (BR) 2006-12-12 — — US disclosed
WO-2006008092-A1 USE OF A STEROID FOR ENHANCEMENT OF SKIN PERMEABILITY NOVARTIS AG (CH) 2006-01-26 — — WO disclosed
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2005-12-08 — — US disclosed
EP-1343805-A4 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT INC (US) 2005-07-20 — — EP disclosed
EP-1343805-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION Xenoport, Inc. (US) 2003-09-17 — — EP disclosed
WO-2002028881-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT, INC. (US) 2002-04-11 — — WO disclosed
US-4460509-A STEROIDS WITH HETERO RING SIDE CHAIN BETH ISRAEL MEDICAL CENTER (US) 1984-07-17 — — US disclosed
US-4171352-A Quantitative evaluation of enteric microbial overgrowth POLYSCIENCES, INC. (US) 1979-10-16 — — 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 (5 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-20170057990-A1 Optimized Synthesis Of Pure, Non-Polymorphic, Crystalline Bile Acids With Defined Particle Size SLC10A1, ABCB11, NR1H4 GPBAR1 8/4885EPHA2 2402/4885HSD17B10 164/4885
US-20140050791-A1 Optimized Synthesis Of Pure, Non-Polymorphic, Crystalline Bile Acids With Defined Particle Size SLC10A1, ABCB11, NR1H4 GPBAR1 8/4885EPHA2 2456/4885HSD17B10 169/4885
US-10000526-B2 Optimized synthesis of pure, non-polymorphic, crystalline bile acids with defined particle size SLC10A1, ABCB11, NR1H4 GPBAR1 8/4885EPHA2 2402/4885HSD17B10 164/4885
US-20080171729-A1 Use Of A Steroid For Enhancement Of Skin Permeability SERPINA6, CYP11A1, HSD17B7 GPBAR1 260/4885EPHA2 1668/4885HSD17B10 315/4885
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 GPBAR1 5/4885EPHA2 875/4885HSD17B10 614/4885

“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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