SCHEMBL2257652

SCHEMBL2257652

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.69
▸ PTGES O14684 1/20 0.66
▸ PRKCD Q05655 1/20 0.66
▸ PTPN1 P18031 3/20 0.64
▸ NT5E P21589 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ TOP2A P11388 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ CA9 Q16790 4/20 0.62
▸ SLC10A1 Q14973 2/20 0.61
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57

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
SCHEMBL14388723 1.00 CETP (0.69) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL5798459 1.00 CETP (0.69) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL14110309 1.00 CETP (0.69) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL14191491 0.98 CETP (0.71) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL5800321 0.95 CETP (0.63) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL5800555 0.93 CETP (0.61) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL14108321 0.93 CETP (0.68) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL1867184 0.92 CETP (0.81) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL22571027 0.90 CETP (0.70) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL554507 0.90 PRKCD (0.80) CETPPTGESPRKCDPTPN1NT5E

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 17 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
EP-1786433-A4 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS SAXENA BRIJ B (US) 2008-02-27 — — EP disclosed
EP-1786433-A2 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-05-23 — — EP disclosed
US-20060154904-A1 Betulinol derivatives as anti-HIV agents CORNELL RESEARCH FOUNDATION, INC. (US) 2006-07-13 — — US disclosed
WO-2006031706-A2 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS CORNELL RESEARCH FOUNDATION, INC (US) 2006-03-23 — — WO disclosed
US-20060019934-A1 Anti-HIV-1 activity of betulinol derivatives SAXENA, BRIJ B. 2006-01-26 — — US disclosed
WO-2005112929-A2 ANTI-HIV-1 ACTIVITY OF BETULINOL DERIVATIVES CORNELL RESEARCH FOUNDATION, INC. (US) 2005-12-01 — — WO disclosed
US-6890533-B2 Betulinol derivatives CORNELL RESEARCH FOUNDATION, INC. (US) 2005-05-10 — — US disclosed
EP-0988311-B9 BETULINOL DERIVATIVES CORNELL RES FOUNDATION INC (US) 2004-12-15 — — EP disclosed
EP-1473301-A2 Betulinol derivatives CORNELL RESEARCH FOUNDATION, INC. (US) 2004-11-03 — — EP disclosed
EP-0988311-B1 BETULINOL DERIVATIVES CORNELL RES FOUNDATION INC (US) 2004-08-04 — — EP disclosed
US-20040001837-A1 Anticancer complex BOMSHTEYN, ARKADIY 2004-01-01 — — US disclosed
US-20030036540-A1 Betulinol derivatives BOMSHTEYN, ARKADIY 2003-02-20 — — US disclosed
EP-0988311-A4 BETULINOL DERIVATIVES CORNELL RES FOUNDATION INC (US) 2003-02-05 — — EP disclosed
EP-0988311-A1 BETULINOL DERIVATIVES CORNELL RESEARCH FOUNDATION, INC. (US) 2000-03-29 — — EP disclosed
WO-1998055497-A1 BETULINOL DERIVATIVES CORNELL RESEARCH FOUNDATION, INC. (US) 1998-12-10 — — 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 (5 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-20060019934-A1 Anti-HIV-1 activity of betulinol derivatives BET1, NFATC1, CD4 CETP 2054/4885PTGES 3365/4885PRKCD 3063/4885
US-20060154904-A1 Betulinol derivatives as anti-HIV agents BET1, NFATC1, CD4 CETP 2054/4885PTGES 3919/4885PRKCD 3512/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 CETP 2054/4885PTGES 3919/4885PRKCD 3512/4885
US-20040001837-A1 Anticancer complex BET1, TMPO, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CETP 2356/4885PTGES 3909/4885PRKCD 4109/4885
US-20030036540-A1 Betulinol derivatives BET1, TMPO, HRH3 CETP 1962/4885PTGES 3283/4885PRKCD 3615/4885

“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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