SCHEMBL13919970

SCHEMBL13919970

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ NT5E P21589 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TOP2A P11388 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ PTGES O14684 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.49
▸ F3 P13726 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.47
▸ CA9 Q16790 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NOS2 P35228 1/20 0.43
▸ GLI1 P08151 1/20 0.43

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
SCHEMBL5439844 1.00 LMNA (0.59) LMNANT5ERELAUSP2HIF1A
SCHEMBL14398330 1.00 LMNA (0.59) LMNANT5ERELAUSP2HIF1A
SCHEMBL13910800 0.93 LMNA (0.50) LMNANT5ERELAUSP2HIF1A
SCHEMBL13910941 0.92 LMNA (0.49) LMNANT5ERELAUSP2HIF1A
SCHEMBL13910934 0.91 LMNA (0.48) LMNANT5ERELAUSP2HIF1A
Glochidone SCHEMBL31721106 0.86 PTPN1 (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL13910802 0.86 LMNA (0.43) LMNANT5ERELAUSP2HIF1A
SCHEMBL6112812 0.85 GPBAR1 (0.66) LMNANT5ERELAUSP2HIF1A
SCHEMBL6715660 0.84 LMNA (0.58) LMNANT5ERELAUSP2HIF1A
SCHEMBL7747717 0.84 LMNA (0.58) LMNANT5ERELAUSP2HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof ADVANCED LIFE SCIENCES, INC. (US) 2009-03-05 — — 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
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 (2 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 LMNA 4313/4885NT5E 3553/4885RELA 449/4885
US-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof BRCA1, PGF, GPER1 LMNA 352/4885NT5E 4069/4885RELA 1347/4885

“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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