SCHEMBL977813

SCHEMBL977813

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.69
GPBAR1 Q8TDU6 5/20 0.69
CASP7 P55210 3/20 0.69
HSD17B10 Q99714 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
TP53 P04637 2/20 0.69
MAPK1 P28482 2/20 0.69
BLM P54132 2/20 0.69
EPHA2 P29317 2/20 0.69
AKR1B10 O60218 2/20 0.69
AKR1B1 P15121 2/20 0.69
LMNA P02545 2/20 0.69
USP2 O75604 2/20 0.69
MDM4 O15151 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
HSPD1 P10809 1/20 0.69
TSHR P16473 1/20 0.69
PTPN2 P17706 1/20 0.69
PTPN1 P18031 1/20 0.69

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
SCHEMBL15156945 1.00 VDR (0.69) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL5154446 1.00 VDR (0.69) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL22572509 0.95 GPBAR1 (0.62) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL6064363 0.94 GPBAR1 (0.61) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL4331335 0.90 GPBAR1 (0.73) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL6064374 0.88 GPBAR1 (0.56) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL22495528 0.88 GPBAR1 (0.56) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL16906787 0.87 OSBP (0.53) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL2155391 0.86 CYP2D6 (0.63) TP53LMNAUSP2MEN1KMT2A
SCHEMBL16227067 0.86 CYP2D6 (0.63) TP53LMNAUSP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423829-A1 METHOD FOR DETERMININGIN VITRO Clayton Pharmaceuticals LLC (US) 2019-01-09 EP claimed
WO-2018204894-A1 METHOD FOR DETERMINING IN VITRO BIOEQUIVALENCE OF A SUCRALFATE SUSPENSION SAMPLE TO A SUCRALFATE SUSPENSION REFERENCE LISTED DRUG (RLD) CLAYTON PHARMACEUTICALS LLC (US) 2018-11-08 WO claimed
US-9989519-B1 Method for determining in vitro bioequivalence of a sucralfate suspension sample to a sucralfate suspension reference listed drug (RLD) Clayton Pharmaceuticals, LLC (US) 2018-06-05 US claimed
US-12023346-B1 Compositions and methods for treating epilepsy POVIVA CORP (US) 2024-07-02 US disclosed
EP-2470553-B1 POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS QING BILE THERAPEUTICS INC (CA) 2024-06-19 EP disclosed
EP-4133266-A1 IMPROVED METHODS FOR EVALUATING LIVER FUNCTION Hepquant, LLC (US) 2023-02-15 EP disclosed
US-20210318274-A1 METHODS FOR EVALUATING LIVER FUNCTION HepQuant, LLC 2021-10-14 US disclosed
US-11066437-B2 Methods and intermediates for the preparation of bile acid derivatives INTERCEPT PHARMACEUTICALS, INC. (US) 2021-07-20 US disclosed
EP-3426348-B1 3-DESOXY DERIVATIVE AND PHARMACEUTICAL COMPOSITIONS THEREOF INTERCEPT PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
EP-3645548-A1 METHODS FOR PREPARING BILE ACIDS Medytox Inc. (KR) 2020-05-06 EP disclosed
US-10604544-B2 Methods for preparation of bile acids and derivatives thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2020-03-31 US disclosed
EP-1012331-A4 COMPOSITIONS AND METHODS FOR THE DELIVERY OF OLIGONUCLEOTIDES VIA THE ALIMENTARY CANAL ISIS PHARMACEUTICALS INC (US) 2002-06-26 EP disclosed
EP-1080103-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
EP-1012331-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF OLIGONUCLEOTIDES VIA THE ALIMENTARY CANAL ISIS PHARMACEUTICALS, INC. (US) 2000-06-28 EP disclosed
WO-1999060012-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
WO-1999001579-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF OLIGONUCLEOTIDES VIA THE ALIMENTARY CANAL ISIS PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed
US-5795870-A STEROID RING WITH AMINE GROUP SIDE CHAINS TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-08-18 US disclosed
EP-0168229-B1 PHARMACEUTICAL ANTIFUNGAL COMPOSITION BTG INTERNATIONAL LIMITED (GB) 1993-09-15 EP disclosed
US-4681876-A Antifungal utility of bile acids NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-07-21 US disclosed
EP-0168229-A2 Pharmaceutical antifungal composition BTG INTERNATIONAL LIMITED (GB) 1986-01-15 EP 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 (2 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-10604544-B2 Methods for preparation of bile acids and derivatives thereof SLC10A2, SLC10A1, NR1H4 VDR 1221/4885GPBAR1 7/4885CASP7 1683/4885
US-11066437-B2 Methods and intermediates for the preparation of bile acid derivatives SLC10A1, SLC10A2, NR1H4 VDR 2312/4885GPBAR1 8/4885CASP7 1129/4885

“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.