SCHEMBL2733537

SCHEMBL2733537

C=C(C)C1CCC2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.83
▸ CA9 Q16790 4/20 0.77
▸ SLC10A1 Q14973 2/20 0.75
▸ NT5E P21589 3/20 0.73
▸ PTPN1 P18031 2/20 0.73
▸ USP2 O75604 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ TOP2A P11388 1/20 0.73
▸ RELA Q04206 1/20 0.73
▸ PRKCD Q05655 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ CETP P11597 1/20 0.62

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
SCHEMBL214200 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL14345008 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL6112807 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL10214430 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
Water SCHEMBL8584387 0.99 PTGES (0.82) PTGESCA9SLC10A1NT5EPTPN1
Ether SCHEMBL8586168 0.96 PTGES (0.78) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13855630 0.93 PTGES (0.72) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5454249 0.93 NT5E (0.75) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13573803 0.93 NT5E (0.75) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5956476 0.92 PTGES (0.74) PTGESCA9SLC10A1NT5EPTPN1

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 PTGES 2093/4885CA9 270/4885SLC10A1 2305/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 PTGES 3919/4885CA9 2991/4885SLC10A1 649/4885

“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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