SCHEMBL13910802

SCHEMBL13910802

C=C(C=O)[C@@H]1CC[C@]2(CC)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 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ NT5E P21589 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NOS2 P35228 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ GLI1 P08151 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC10A1 Q14973 1/20 0.40
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ F3 P13726 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
SCHEMBL13910941 0.93 LMNA (0.49) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL13919970 0.86 LMNA (0.59) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL5439844 0.86 LMNA (0.59) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL14398330 0.86 LMNA (0.59) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL13910940 0.83 CA9 (0.37) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL13910800 0.83 LMNA (0.50) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL13910934 0.81 LMNA (0.48) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL13910775 0.81 GPBAR1 (0.64) LMNANT5EUSP2HIF1ATOP2A
Glochidone SCHEMBL31721106 0.80 PTPN1 (0.56) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL6112812 0.79 GPBAR1 (0.66) LMNANT5EUSP2HIF1APTPN1

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-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof ADVANCED LIFE SCIENCES, INC. (US) 2009-03-05 — — 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-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof BRCA1, PGF, GPER1 LMNA 352/4885NT5E 4069/4885USP2 3706/4885

“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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