E-Guggulsterone

E-Guggulsterone

SCHEMBL12858540

CC=C1C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ HSD17B10 Q99714 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ NR3C1 P04150 5/20 1.00
▸ PGR P06401 5/20 1.00
▸ CYP3A4 P08684 5/20 1.00
▸ TSHR P16473 5/20 1.00
▸ AR P10275 4/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ MAPT P10636 3/20 1.00
▸ BLM P54132 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ NPSR1 Q6W5P4 3/20 1.00
▸ NR1I2 O75469 2/20 1.00
▸ NR3C2 P08235 2/20 1.00
▸ NR1H4 Q96RI1 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ ESR1 P03372 1/20 1.00

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
E-Guggulsterone SCHEMBL7860363 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13327483 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12153588 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13304392 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL14193742 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL1650063 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL258031 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL177528 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL177786 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
Guggulsterone SCHEMBL141657 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594577-A1 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2013-05-22 — — EP disclosed
EP-2284176-A1 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2011-02-16 — — EP disclosed
EP-2251346-A2 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2010-11-17 — — EP disclosed
US-20100151002-A1 Guggulphospholipid Methods and Compositions JINA PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
US-20070055072-A1 Process for preparing guggulsterones and guggulsterol SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-03-08 — — US disclosed
US-20070055072-A1 Process for preparing guggulsterones and guggulsterol SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-03-08 — — 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 (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-20100151002-A1 Guggulphospholipid Methods and Compositions SGMS2, SGMS1, PLA2G5 SMN1; SMN2 3094/4885HSD17B10 550/4885ALDH1A1 4045/4885
US-20070055072-A1 Process for preparing guggulsterones and guggulsterol CYP17A1, CYP46A1, HSD17B7 SMN1; SMN2 4445/4885HSD17B10 48/4885ALDH1A1 2327/4885

“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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