SCHEMBL5451153

SCHEMBL5451153

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.45
▸ GPBAR1 Q8TDU6 7/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 8/20 0.42
▸ PRKCD Q05655 1/20 0.39

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
SCHEMBL13942558 0.92 GPBAR1 (0.44) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13293168 0.86 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL5446921 0.86 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL14398336 0.86 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL5444255 0.85 TDP1 (0.42) SLC10A1GPBAR1TDP1PRKCD
SCHEMBL14374286 0.85 TDP1 (0.41) SLC10A1GPBAR1TDP1PRKCD
SCHEMBL13910764 0.84 SLC10A1 (0.51) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13910807 0.84 GPBAR1 (0.51) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL10061312 0.84 SLC10A1 (0.52) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL14374284 0.84 SLC10A1 (0.67) SLC10A1GPBAR1LMNANT5ETDP1

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
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 SLC10A1 2120/4885GPBAR1 225/4885LMNA 4313/4885

“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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