SCHEMBL678541

SCHEMBL678541

CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 1.00
▸ USP2 O75604 2/20 1.00
▸ ST6GAL1 P15907 1/20 0.78
▸ ABCC4 O15439 1/20 0.76
▸ CASP7 P55210 3/20 0.73
▸ TP53 P04637 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ HSD17B10 Q99714 2/20 0.73
▸ GPBAR1 Q8TDU6 2/20 0.73
▸ BLM P54132 2/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ MDM4 O15151 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ HSPD1 P10809 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PTPN2 P17706 1/20 0.73
▸ PTPN1 P18031 1/20 0.73
▸ EPHA2 P29317 1/20 0.73
▸ BRCA1 P38398 1/20 0.73

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
SCHEMBL14360682 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL678540 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL18994243 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL11457420 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL18265875 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL24897190 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL18575846 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL22871870 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL22855545 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7
SCHEMBL15976038 1.00 VDR (1.00) VDRUSP2ST6GAL1ABCC4CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278992-B2 Function-selective vitamin D receptor agonist NIHON UNIVERSITY (JP) 2016-03-08 — — US claimed
CN-119716080-A Radioactive enteritis differential metabolite marker based on fecal metabonomics, screening method and application thereof 中山大学附属第六医院 2025-03-28 — — CN disclosed
US-20230174988-A1 METHODS FOR INDUCING BILE ACID SULFOTRANSFERASE SULT2A FOR TREATING METABOLIC DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-08 — — US disclosed
WO-2021226447-A1 METHODS FOR INDUCING BILE ACID SULFOTRANSFERASE SULT2A FOR TREATING METABOLIC DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 — — WO disclosed
WO-2021033766-A1 LITHOCHOLIC ACID DERIVATIVE HAVING VITAMIN D ACTIVITY 国立大学法人お茶の水女子大学 2021-02-25 — — WO disclosed
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 — — US disclosed
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 — — WO disclosed
US-9278992-B2 Function-selective vitamin D receptor agonist NIHON UNIVERSITY (JP) 2016-03-08 — — US disclosed
EP-2081949-B1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE GE HEALTHCARE DHARMACON INC (US) 2014-12-10 — — EP disclosed
EP-2163557-B1 FUNCTION-SELECTIVE VITAMIN D RECEPTOR AGONIST UNIV NIHON (JP) 2014-10-15 — — EP disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 — — US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 — — US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 — — WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 — — WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 — — US disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 — — WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 — — US disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 — — US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed
US-4215045-A 123m Te-Labeled biochemicals and method of preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1980-07-29 — — 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 (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-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 VDR 131/4885USP2 1764/4885ST6GAL1 4661/4885
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 VDR 3873/4885USP2 1906/4885ST6GAL1 1/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 VDR 991/4885USP2 1590/4885ST6GAL1 3307/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX VDR 848/4885USP2 2216/4885ST6GAL1 4699/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 VDR 95/4885USP2 1697/4885ST6GAL1 3757/4885
US-20230174988-A1 METHODS FOR INDUCING BILE ACID SULFOTRANSFERASE SULT2A FOR TREATING METABOLIC DISORDERS CYP7A1, CYP27A1, CYP7B1 VDR 12/4885USP2 1324/4885ST6GAL1 1027/4885

“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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