SCHEMBL17057017

SCHEMBL17057017

CC(=O)/C=C/CC(C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.65
▸ ACACA Q13085 2/20 0.65
▸ PTPN11 Q06124 1/20 0.64
▸ HSD11B1 P28845 5/20 0.50
▸ HSD11B2 P80365 1/20 0.50
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ HMGCR P04035 2/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
(23E)-Cyclosadol SCHEMBL13420421 0.83 ACLY (0.64) ACLYACACAPTPN11HSD11B1HSD11B2
(23E)-Cyclosadol SCHEMBL13644394 0.83 ACLY (0.64) ACLYACACAPTPN11HSD11B1HSD11B2
(23E)-Cyclosadol SCHEMBL29636856 0.83 ACLY (0.64) ACLYACACAPTPN11HSD11B1HSD11B2
Vaticinone SCHEMBL29670808 0.82 HSD11B1 (0.60) ACLYACACAPTPN11HSD11B1PTGS1
SCHEMBL13420264 0.81 ACLY (0.73) ACLYACACAPTPN11HSD11B1HSD11B2
Cycloartenol SCHEMBL23754759 0.80 ACLY (0.81) ACLYACACAPTPN11HSD11B1HSD11B2
Cycloartenol SCHEMBL13420259 0.80 ACLY (0.81) ACLYACACAPTPN11HSD11B1HSD11B2
Cycloartenol SCHEMBL20778271 0.80 ACLY (0.81) ACLYACACAPTPN11HSD11B1HSD11B2
Cycloartenol SCHEMBL21754440 0.80 ACLY (0.81) ACLYACACAPTPN11HSD11B1HSD11B2
Cycloartenol SCHEMBL12368108 0.80 ACLY (0.81) ACLYACACAPTPN11HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568862-B2 Xanthone-rich plant extracts or compounds therefrom for modulating diseases of the central nervous system and related disorders DEAKIN UNIVERSITY (AU) 2020-02-25 — — US disclosed
US-20160367521-A1 XANTHONE-RICH PLANT EXTRACTS OR COMPOUNDS THEREFROM FOR MODULATING DISEASES OF THE CENTRAL NERVOUS SYSTEM AND RELATED DISORDERS DEAKIN UNIVERSITY (AU) 2016-12-22 — — US disclosed
US-20160367521-A1 XANTHONE-RICH PLANT EXTRACTS OR COMPOUNDS THEREFROM FOR MODULATING DISEASES OF THE CENTRAL NERVOUS SYSTEM AND RELATED DISORDERS DEAKIN UNIVERSITY (AU) 2016-12-22 — — US disclosed
WO-2015127512-A1 XANTHONE-RICH PLANT EXTRACTS OR COMPOUNDS THEREFROM FOR MODULATING DISEASES OF THE CENTRAL NERVOUS SYSTEM AND RELATED DISORDERS DEAKIN UNIVERSITY (AU) 2015-09-03 — — 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 (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-10568862-B2 Xanthone-rich plant extracts or compounds therefrom for modulating diseases of the central nervous system and related disorders GAP43, PMP22, ACHE ACLY 2687/4885ACACA 2312/4885PTPN11 1035/4885
US-20160367521-A1 XANTHONE-RICH PLANT EXTRACTS OR COMPOUNDS THEREFROM FOR MODULATING DISEASES OF THE CENTRAL NERVOUS SYSTEM AND RELATED DISORDERS GAP43, PMP22, ACHE ACLY 2687/4885ACACA 2312/4885PTPN11 1035/4885

“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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