SCHEMBL5448684

SCHEMBL5448684

C=C(C)[C@@H]1CC[C@]2(COC(=O)CBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 9)

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 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.42
▸ PTGES O14684 1/20 0.42

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
SCHEMBL5450638 0.91 CA9 (0.43) CA9CA1CA2GPBAR1LMNA
SCHEMBL14399285 0.86 LMNA (0.54) CA9CA1CA2GPBAR1LMNA
SCHEMBL14400884 0.86 LMNA (0.54) CA9CA1CA2GPBAR1LMNA
SCHEMBL5443587 0.82 CA9 (0.40) CA9CA1CA2GPBAR1LMNA
SCHEMBL14399188 0.82 CA9 (0.40) CA9CA1CA2GPBAR1LMNA
SCHEMBL5442215 0.81 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13351911 0.81 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL14398790 0.81 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL3525117 0.81 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL10081999 0.81 PTPN1 (0.52) GPBAR1LMNANT5ESMN1; SMN2PTGES

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.

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