Betulone

Betulone

SCHEMBL22010112

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.73
▸ LMNA P02545 3/20 0.73
▸ NT5E P21589 3/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ PTPN1 P18031 3/20 0.68
▸ USP2 O75604 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ TOP2A P11388 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ PTGES O14684 1/20 0.62
▸ F3 P13726 1/20 0.54
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ EGLN2 Q96KS0 1/20 0.53
▸ EGLN1 Q9GZT9 1/20 0.53
▸ EGLN3 Q9H6Z9 1/20 0.53
▸ P4HTM Q9NXG6 1/20 0.53
▸ SLC10A1 Q14973 1/20 0.52
▸ CA9 Q16790 3/20 0.51
▸ CA1 P00915 1/20 0.51

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
Betulone SCHEMBL14374402 1.00 GPBAR1 (0.73) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betulone SCHEMBL13910773 1.00 GPBAR1 (0.73) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betulone SCHEMBL5448679 1.00 GPBAR1 (0.73) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betulone SCHEMBL13098074 1.00 GPBAR1 (0.73) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betulone SCHEMBL12363687 1.00 GPBAR1 (0.73) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL14666445 0.93 GPBAR1 (0.74) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13910793 0.92 GPBAR1 (0.62) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13910765 0.92 GPBAR1 (0.62) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13910818 0.92 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13910804 0.91 LMNA (0.61) GPBAR1LMNANT5ESMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173164-B2 Compositions comprising triterpenoids REGENERA PHARMA LTD. (IL) 2021-11-16 — — US disclosed
US-20200155569-A1 COMPOSITIONS COMPRISING TRITERPENOIDS REGENERA PHARMA LTD. (IL) 2020-05-21 — — 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-11173164-B2 Compositions comprising triterpenoids PARK7, SNCA, APP GPBAR1 313/4885LMNA 3158/4885NT5E 1973/4885
US-20200155569-A1 COMPOSITIONS COMPRISING TRITERPENOIDS PARK7, SNCA, APP GPBAR1 313/4885LMNA 3158/4885NT5E 1973/4885

“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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