SCHEMBL1492095

SCHEMBL1492095

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.67
HSD17B10 Q99714 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
AKR1B10 O60218 2/20 0.67
AKR1B1 P15121 2/20 0.67
EPHA2 P29317 2/20 0.67
LMNA P02545 2/20 0.67
EFNA1 P20827 1/20 0.67
PSEN1 P49768 1/20 0.67
PSEN2 P49810 1/20 0.67
APH1B Q8WW43 1/20 0.67
NCSTN Q92542 1/20 0.67
APH1A Q96BI3 1/20 0.67
PSENEN Q9NZ42 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
VDR P11473 6/20 0.66
CASP7 P55210 3/20 0.66
TP53 P04637 2/20 0.66
MAPK1 P28482 2/20 0.66

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
SCHEMBL10906860 0.88 GPBAR1 (0.74) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL381612 0.88 GPBAR1 (0.74) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL4751618 0.88 GPBAR1 (0.74) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL7124131 0.87 GPBAR1 (0.49) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492255 0.87 GPBAR1 (0.49) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL4182461 0.87 GPBAR1 (0.51) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL977813 0.85 VDR (0.69) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL5154446 0.85 VDR (0.69) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL15156945 0.85 VDR (0.69) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492159 0.85 CYP2D6 (0.62) LMNAMEN1KMT2ATP53USP2

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
EP-2470553-B1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC (CA) 2024-06-19 EP claimed
US-20220227804-A1 COMBINATION OF A POLYHYDROXYLATED BILE ACID AND A FARNESOID X RECEPTOR AGONIST QING BILE THERAPEUTICS INC. (CA) 2022-07-21 US claimed
US-20200078374-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC. (CA) 2020-03-12 US claimed
US-10543220-B2 Polyhydroxylated bile acids for treatment of biliary disorders QING BILE THERAPEUTICS INC. (CA) 2020-01-28 US claimed
US-20160184325-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC. (CA) 2016-06-30 US claimed
US-9295677-B2 Polyhydroxylated bile acids for treatment of biliary disorders QING BILE THERAPEUTICS INC. (CA) 2016-03-29 US claimed
EP-2470553-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS British Columbia Cancer Agency Branch (CA) 2012-07-04 EP claimed
WO-2011022838-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2011-03-03 WO claimed
WO-2009105897-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2009-09-03 WO claimed
EP-2470553-B1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC (CA) 2024-06-19 EP disclosed
US-20220227804-A1 COMBINATION OF A POLYHYDROXYLATED BILE ACID AND A FARNESOID X RECEPTOR AGONIST QING BILE THERAPEUTICS INC. (CA) 2022-07-21 US disclosed
US-20200078374-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC. (CA) 2020-03-12 US disclosed
US-10543220-B2 Polyhydroxylated bile acids for treatment of biliary disorders QING BILE THERAPEUTICS INC. (CA) 2020-01-28 US disclosed
EP-2758060-B1 ROR GAMMA MODULATORS FOR TREATING DIABETES II COMPLICATIONS ETH Zürich (CH) 2017-11-29 EP disclosed
US-9295677-B2 Polyhydroxylated bile acids for treatment of biliary disorders QING BILE THERAPEUTICS INC. (CA) 2016-03-29 US disclosed
US-20120277198-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC. (CA) 2012-11-01 US disclosed
EP-2470553-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS British Columbia Cancer Agency Branch (CA) 2012-07-04 EP disclosed
US-20110263546-A1 Polyhydroxylated Bile Acids for Treatment of Biliary Disorders BRITISH COLUMBIA CANCER AGENCY (CA) 2011-10-27 US disclosed
WO-2011022838-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2011-03-03 WO disclosed
WO-2009105897-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2009-09-03 WO 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-20200078374-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885HSD17B10 57/4885TDP1 4065/4885
US-20120277198-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885HSD17B10 56/4885TDP1 4057/4885
US-20220227804-A1 COMBINATION OF A POLYHYDROXYLATED BILE ACID AND A FARNESOID X RECEPTOR AGONIST NR1H4, GPBAR1, SLC10A1 GPBAR1 2/4885HSD17B10 309/4885TDP1 4128/4885
US-20160184325-A1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885HSD17B10 57/4885TDP1 4056/4885
US-10543220-B2 Polyhydroxylated bile acids for treatment of biliary disorders NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885HSD17B10 56/4885TDP1 4057/4885
US-20110263546-A1 Polyhydroxylated Bile Acids for Treatment of Biliary Disorders NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885HSD17B10 77/4885TDP1 4124/4885

“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.