SCHEMBL5444255

SCHEMBL5444255

CC(C)[C@@H]1CC[C@]2(COC3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.42
▸ SLC10A1 Q14973 1/20 0.41
▸ GPBAR1 Q8TDU6 5/20 0.37
▸ PRKCD Q05655 1/20 0.35

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
SCHEMBL14400878 0.89 CA9 (0.32) TDP1SLC10A1GPBAR1
SCHEMBL14374286 0.88 TDP1 (0.41) TDP1SLC10A1GPBAR1PRKCD
SCHEMBL14400883 0.87 CA9 (0.44) GPBAR1
SCHEMBL5442037 0.87 CA9 (0.44) GPBAR1
SCHEMBL5451153 0.85 SLC10A1 (0.45) TDP1SLC10A1GPBAR1PRKCD
SCHEMBL5442406 0.81 TDP1 (0.43) TDP1SLC10A1GPBAR1
SCHEMBL5446858 0.79 SLC10A1 (0.67) TDP1SLC10A1GPBAR1PRKCD
SCHEMBL14374284 0.79 SLC10A1 (0.67) TDP1SLC10A1GPBAR1PRKCD
SCHEMBL13942558 0.78 GPBAR1 (0.44) TDP1SLC10A1GPBAR1
SCHEMBL5446514 0.78 TDP1 (0.42) TDP1SLC10A1GPBAR1PRKCD

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 3 patents. 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
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
WO-2007112043-A2 SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN ADVANCED LIFE SCIENCES INC. (US) 2007-10-04 — — WO 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 TDP1 3403/4885SLC10A1 2120/4885GPBAR1 225/4885

“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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