SCHEMBL5444232

SCHEMBL5444232

C=C(C)OC(=O)C[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4CCC[C@]4(COC4CCCCO4)CC[C@]23C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.38
▸ CA9 Q16790 4/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ USP7 Q93009 1/20 0.35
▸ PRKCD Q05655 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ALB P02768 1/20 0.34

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
SCHEMBL14344644 0.82 SLC10A1 (0.46) SLC10A1PTPN1USP2LMNAHIF1A
SCHEMBL5444226 0.80 CA9 (0.54) SLC10A1CA9CA1CA2PTPN1
SCHEMBL5448193 0.80 SLC10A1 (0.40) SLC10A1PTPN1USP2LMNAHIF1A
SCHEMBL16669528 0.77 USP7 (0.45) CA9CA1CA2PTPN1USP2
SCHEMBL16671510 0.77 USP7 (0.45) CA9CA1CA2PTPN1USP2
SCHEMBL16669216 0.74 NT5E (0.47) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL14374214 0.73 CA9 (0.69) SLC10A1CA9CA1CA2PTPN1
SCHEMBL13098060 0.73 CA9 (0.69) SLC10A1CA9CA1CA2PTPN1
SCHEMBL14374360 0.72 PTPN1 (0.56) SLC10A1CA9CA1CA2PTPN1
SCHEMBL13098042 0.72 PTPN1 (0.68) SLC10A1CA9CA1CA2PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — 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-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 SLC10A1 2120/4885CA9 779/4885CA1 193/4885

“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