SCHEMBL13293259

SCHEMBL13293259

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.62
▸ LMNA P02545 2/20 0.60
▸ NT5E P21589 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ TOP2A P11388 1/20 0.60
▸ PTPN1 P18031 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ GPBAR1 Q8TDU6 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SLC10A1 Q14973 2/20 0.56
▸ CA9 Q16790 3/20 0.52
▸ F3 P13726 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 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
SCHEMBL13293224 0.95 SLC10A1 (0.60) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293196 0.93 SLC10A1 (0.60) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13301931 0.91 PTGES (0.61) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293195 0.90 LMNA (0.67) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293148 0.89 SLC10A1 (0.71) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13164844 0.89 PTGES (0.58) PTGESLMNANT5ETOP2APTPN1
SCHEMBL13293245 0.88 SLC10A1 (0.57) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293167 0.88 SLC10A1 (0.58) PTGESLMNANT5EUSP2HIF1A
SCHEMBL3506340 0.88 GPBAR1 (0.75) LMNANT5EUSP2HIF1APTPN1
SCHEMBL13293135 0.88 GPBAR1 (0.63) PTGESLMNANT5EUSP2HIF1A

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 PTGES 14/4885LMNA 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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