SCHEMBL2733084

SCHEMBL2733084

C=C(C)C1CCC2(COC(C)=O)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 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.76
▸ USP2 O75604 2/20 0.76
▸ LMNA P02545 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ NT5E P21589 2/20 0.76
▸ TOP2A P11388 2/20 0.76
▸ RELA Q04206 1/20 0.76
▸ SLC10A1 Q14973 2/20 0.70
▸ ALB P02768 2/20 0.69
▸ GPBAR1 Q8TDU6 2/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ GLI1 P08151 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
▸ CA9 Q16790 4/20 0.67
▸ CES2 O00748 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
SCHEMBL214201 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16994315 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13573802 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL15120375 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16983599 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13098063 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL6112842 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
Water SCHEMBL8586171 0.99 PTPN1 (0.75) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL210109 0.93 PTPN1 (0.73) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL5956480 0.92 PTPN1 (0.72) PTPN1USP2LMNAHIF1ANT5E

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 4 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-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

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 4631/4885USP2 4167/4885LMNA 3645/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 PTPN1 1987/4885USP2 4717/4885LMNA 4335/4885

“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.

Send feedback