SCHEMBL13293256

SCHEMBL13293256

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.67
▸ LMNA P02545 2/20 0.67
▸ NT5E P21589 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ CES2 O00748 2/20 0.59
▸ CES1 P23141 2/20 0.59
▸ F3 P13726 1/20 0.59
▸ PTPN1 P18031 2/20 0.54
▸ GLI1 P08151 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ RORC P51449 1/20 0.54
▸ SAE1 Q9UBE0 1/20 0.54
▸ UBA2 Q9UBT2 1/20 0.54
▸ RELA Q04206 1/20 0.53

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
SCHEMBL14023068 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL14554424 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL3507861 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL16704974 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL14134274 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL30688063 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL13184576 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL15450723 0.92 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL13910823 0.91 GPBAR1 (0.81) GPBAR1LMNANT5ESMN1; SMN2CES2
SCHEMBL13293261 0.89 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2CES2

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
WO-2010068668-A1 23-SUBSTITUTED DERIVATIVES OF LUPANE-TYPE PENTACYCLIC TRITERPENOIDS ADVANCED LIFE SCIENCES, INC. (US) 2010-06-17 — — WO disclosed
US-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids ADVANCED LIFE SCIENCES, INC. (US) 2010-06-10 — — US disclosed
US-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids ADVANCED LIFE SCIENCES, INC. (US) 2010-06-10 — — 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-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids BRCA1, PGF, LSS GPBAR1 465/4885LMNA 1419/4885NT5E 4392/4885

“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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