SCHEMBL5440871

SCHEMBL5440871

C=C(C)C1CCC2(COC3CCCCO3)CCC3(C)C(CCC4C5(C)C=C(C=O)C(=O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NT5E P21589 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ GLI1 P08151 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC10A1 Q14973 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL13910945 1.00 CA9 (0.41) CA9CA1CA2LMNANT5E
SCHEMBL13910947 0.93 SLC10A1 (0.44) CA9CA1CA2LMNANT5E
SCHEMBL5448119 0.92 CA9 (0.42) CA9CA1CA2LMNANT5E
SCHEMBL14374329 0.92 CA9 (0.42) CA9CA1CA2LMNANT5E
SCHEMBL5454240 0.90 CA9 (0.41) CA9CA1CA2LMNANT5E
SCHEMBL14374326 0.90 CA9 (0.41) CA9CA1CA2LMNANT5E
SCHEMBL5443587 0.88 CA9 (0.40) CA9CA1CA2LMNANT5E
SCHEMBL14399188 0.88 CA9 (0.40) CA9CA1CA2LMNANT5E
SCHEMBL5446514 0.87 TDP1 (0.42) SLC10A1GPBAR1
SCHEMBL14374379 0.86 HSD17B10 (0.36) CA9CA1CA2

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