SCHEMBL5442037

SCHEMBL5442037

C=C(C)C1CCC2(COC3CCCCO3)CCC3(C)C(CCC4C5(C)CC(C#N)C(=O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NT5E P21589 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RELA Q04206 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ GLI1 P08151 1/20 0.41

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
SCHEMBL14400883 1.00 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14400878 0.89 CA9 (0.32) CA9CA1CA2GPBAR1LMNA
SCHEMBL14374405 0.88 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14398798 0.88 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL13910944 0.88 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL5439771 0.88 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL5444255 0.87 TDP1 (0.42) GPBAR1
SCHEMBL5446921 0.86 GPBAR1 (0.60) CA9CA1CA2GPBAR1LMNA
SCHEMBL14398336 0.86 GPBAR1 (0.60) CA9CA1CA2GPBAR1LMNA
SCHEMBL13293168 0.86 GPBAR1 (0.60) CA9CA1CA2GPBAR1LMNA

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 CA9 779/4885CA1 193/4885CA2 1438/4885

“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