Betunolic Acid

Betunolic Acid

SCHEMBL13098064

C=C(C)[C@@H]1CCC2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 1.00
▸ LMNA P02545 2/20 1.00
▸ NT5E P21589 2/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ PTPN1 P18031 2/20 0.69
▸ GLI1 P08151 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ ALB P02768 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ RORC P51449 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ UBA2 Q9UBT2 1/20 0.69
▸ RELA Q04206 1/20 0.67
▸ CES2 O00748 2/20 0.66
▸ CES1 P23141 2/20 0.66
▸ F3 P13726 1/20 0.66

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
Betunolic Acid SCHEMBL19147039 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14436770 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14111993 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13573800 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13908772 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14397742 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14447472 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL10062172 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13814592 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL8283296 1.00 GPBAR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 — — 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 (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-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 GPBAR1 1652/4885LMNA 3874/4885NT5E 1606/4885

“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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