SCHEMBL12363669

SCHEMBL12363669

C=C(C)C1CCC2(C(=O)NCC(C)C(=O)O)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.74
▸ LMNA P02545 2/20 0.74
▸ NT5E P21589 2/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ EGLN2 Q96KS0 2/20 0.59
▸ EGLN1 Q9GZT9 2/20 0.59
▸ EGLN3 Q9H6Z9 2/20 0.59
▸ P4HTM Q9NXG6 2/20 0.59
▸ RORC P51449 5/20 0.55
▸ GLI1 P08151 2/20 0.53
▸ RELA Q04206 1/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ AKR1B10 O60218 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52

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 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13098064 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14447472 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13908772 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13573800 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13814592 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14397742 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL10062172 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14111993 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL8283296 0.85 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2

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-8008280-B2 Betulinol derivatives as anti-HIV agents BIORINGS LLC (US) 2011-08-30 — — US disclosed
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents SAXENA RESEARCH, LLC 2008-11-20 — — 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-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 GPBAR1 912/4885LMNA 4335/4885NT5E 2827/4885

“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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