Betulin

Betulin

SCHEMBL2733535

C=C(C)C1CCC2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[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
▸ PTPN1 P18031 4/20 1.00
▸ TOP2A P11388 2/20 1.00
▸ USP2 O75604 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ NT5E P21589 2/20 1.00
▸ RELA Q04206 1/20 1.00
▸ CES2 O00748 2/20 0.74
▸ CES1 P23141 2/20 0.74
▸ RORC P51449 4/20 0.70
▸ ALB P02768 3/20 0.70
▸ AKR1B10 O60218 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ GLI1 P08151 1/20 0.70
▸ AKR1B1 P15121 1/20 0.70
▸ DPP4 P27487 1/20 0.70
▸ GPBAR1 Q8TDU6 1/20 0.70
▸ SAE1 Q9UBE0 1/20 0.70
▸ UBA2 Q9UBT2 1/20 0.70
▸ SLC10A1 Q14973 2/20 0.70

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
Betulin SCHEMBL19452465 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL13908773 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL8656184 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL13806589 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL7749571 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL7215658 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL15074885 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL9905923 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL20776118 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL8223535 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A

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
US-8088757-B2 Betulinol derivatives as anti-cancer agents BIORINGS LLC (US) 2012-01-03 — — US disclosed
US-8008280-B2 Betulinol derivatives as anti-HIV agents BIORINGS LLC (US) 2011-08-30 — — US disclosed
US-8008280-B2 Betulinol derivatives as anti-HIV agents BIORINGS LLC (US) 2011-08-30 — — US disclosed
US-20090176753-A1 Betulinol derivatives as anti-cancer agents SAXENA RESEARCH, LLC 2009-07-09 — — US disclosed
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents SAXENA RESEARCH, LLC 2008-11-20 — — 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 (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-20090176753-A1 Betulinol derivatives as anti-cancer agents BET1, BRDT, BRCA1 PTPN1 4631/4885TOP2A 191/4885USP2 4167/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 PTPN1 1987/4885TOP2A 2384/4885USP2 4717/4885

“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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