SCHEMBL5452414

SCHEMBL5452414

C=C(C)C1CCC2(COC3CCCCO3)CCC3(C)C(CCC4C5(C)CC([Se]c6ccccc6)C(=O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ SI P14410 2/20 0.43
▸ MGAM2 Q2M2H8 2/20 0.43
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA9 Q16790 3/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PTGES O14684 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
SCHEMBL5442037 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14400883 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14398798 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14374405 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910944 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL5439771 0.85 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14398336 0.82 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL5446921 0.82 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13293168 0.82 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14374319 0.80 CA9 (0.42) GPBAR1LMNANT5ESMN1; SMN2CA9

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 MGAM 3979/4885GAA 2059/4885SI 285/4885

“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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