SCHEMBL13293191

SCHEMBL13293191

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.67
▸ SLC10A1 Q14973 1/20 0.56
▸ CA9 Q16790 4/20 0.54
▸ PTGES O14684 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ EGLN2 Q96KS0 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NT5E P21589 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL13293176 0.96 GPBAR1 (0.64) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293135 0.95 GPBAR1 (0.63) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293222 0.93 SLC10A1 (0.66) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293169 0.91 GPBAR1 (0.79) GPBAR1EGLN2EGLN1EGLN3P4HTM
SCHEMBL13293189 0.90 GPBAR1 (0.56) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293212 0.89 SLC10A1 (0.61) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293280 0.89 GPBAR1 (0.54) GPBAR1SLC10A1CA9PTGESCA1
SCHEMBL13293140 0.89 GPBAR1 (0.60) GPBAR1SLC10A1PTGESEGLN2EGLN1
SCHEMBL16705008 0.88 GPBAR1 (0.68) GPBAR1EGLN2EGLN1EGLN3P4HTM
SCHEMBL13293134 0.88 GPBAR1 (0.59) GPBAR1SLC10A1CA9PTGESEGLN2

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-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 465/4885SLC10A1 2053/4885CA9 2269/4885

“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.

Send feedback