SCHEMBL232939

SCHEMBL232939

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.57
POLA1 P09884 1/20 0.55
CDC25A P30304 1/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
EPHA2 P29317 2/20 0.55
LMNA P02545 2/20 0.55
EFNA1 P20827 1/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CASP7 P55210 3/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL11011269 0.89 GPBAR1 (0.72) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL9760003 0.89 GPBAR1 (0.72) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL933404 0.88 CYP2D6 (0.67) POLA1CDC25ALMNAMEN1KMT2A
SCHEMBL16860684 0.88 CYP2D6 (0.67) POLA1CDC25ALMNAMEN1KMT2A
SCHEMBL4624060 0.86 GPBAR1 (0.73) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL3125136 0.86 GPBAR1 (0.73) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL21257887 0.86 GRIN2A (0.57) GPBAR1CDC25AHSD17B10TDP1AKR1B10
SCHEMBL1490581 0.86 GPBAR1 (0.55) GPBAR1POLA1CDC25AHSD17B10TDP1
SCHEMBL6879512 0.86 GPBAR1 (0.55) GPBAR1POLA1CDC25AHSD17B10TDP1
SCHEMBL11057706 0.85 GPBAR1 (0.75) GPBAR1POLA1CDC25AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3593143-B1 A SCREENING METHOD FOR CEREBROTENDINOUS XANTHOMATOSIS USING BILE ALCOHOL GLUCURONIDES AND METABOLITE RATIOS Stichting Amsterdam UMC (NL) 2024-11-27 EP claimed
US-11650212-B2 Screening method for cerebrotendinous xanthomatosis using bile alcohol glucuronides and metabolite ratios ACADEMISCH MEDISCH CENTRUM (NL) 2023-05-16 US claimed
US-20210033626-A1 A SCREENING METHOD FOR CEREBROTENDINOUS XANTHOMATOSIS USING BILE ALCOHOL GLUCURONIDES AND METABOLITE RATIOS Stichting Amsterdam UMC (NL) 2021-02-04 US claimed
WO-2018162362-A1 A SCREENING METHOD FOR CEREBROTENDINOUS XANTHOMATOSIS USING BILE ALCOHOL GLUCURONIDES AND METABOLITE RATIOS ACADEMISCH MEDISCH CENTRUM (NL) 2018-09-13 WO claimed
US-20100113286-A1 METHODS FOR DETECTION OF PREECLAMPSIA LAJOIE GILLES ANDRE 2010-05-06 US claimed
EP-2147309-A1 METHODS FOR THE DETECTION OF PREECLAMPSIA The University Of Western Ontario (CA) 2010-01-27 EP claimed
WO-2008134881-A1 METHODS FOR THE DETECTION OF PREECLAMPSIA THE UNIVERSITY OF WESTERN ONTARIO (CA) 2008-11-13 WO claimed
EP-3593143-B1 A SCREENING METHOD FOR CEREBROTENDINOUS XANTHOMATOSIS USING BILE ALCOHOL GLUCURONIDES AND METABOLITE RATIOS Stichting Amsterdam UMC (NL) 2024-11-27 EP disclosed
CN-108430514-B Compositions and methods for treating peroxisome disorders and leukodystrophies 约翰霍普金斯大学 2023-11-03 CN disclosed
EP-3368088-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES UNIV JOHNS HOPKINS (US) 2023-06-07 EP disclosed
US-11650212-B2 Screening method for cerebrotendinous xanthomatosis using bile alcohol glucuronides and metabolite ratios ACADEMISCH MEDISCH CENTRUM (NL) 2023-05-16 US disclosed
US-20220071923-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES KENNEDY KRIEGER INSTITUTE, INC. 2022-03-10 US disclosed
US-20210033626-A1 A SCREENING METHOD FOR CEREBROTENDINOUS XANTHOMATOSIS USING BILE ALCOHOL GLUCURONIDES AND METABOLITE RATIOS Stichting Amsterdam UMC (NL) 2021-02-04 US disclosed
WO-2016019176-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING, PROGNOSING, AND CONFIRMING PREECLAMPSIA COOPER MATTHEW (US) 2016-02-04 WO disclosed
US-20120004854-A1 METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-01-05 US disclosed
EP-2279417-A1 METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF Georgia Tech Research Corporation (US) 2011-02-02 EP disclosed
US-20100113286-A1 METHODS FOR DETECTION OF PREECLAMPSIA LAJOIE GILLES ANDRE 2010-05-06 US disclosed
EP-2147309-A1 METHODS FOR THE DETECTION OF PREECLAMPSIA The University Of Western Ontario (CA) 2010-01-27 EP disclosed
WO-2009151967-A1 METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2009-12-17 WO disclosed
WO-2008134881-A1 METHODS FOR THE DETECTION OF PREECLAMPSIA THE UNIVERSITY OF WESTERN ONTARIO (CA) 2008-11-13 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 (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-20220071923-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES CLN6, PEX3, GBA1 GPBAR1 1628/4885POLA1 1026/4885CDC25A 3891/4885

“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.