SCHEMBL13293195

SCHEMBL13293195

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)(CO)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ NT5E P21589 3/20 0.67
▸ PTPN1 P18031 3/20 0.67
▸ USP2 O75604 2/20 0.67
▸ HIF1A Q16665 2/20 0.67
▸ TOP2A P11388 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ PTGES O14684 2/20 0.61
▸ GPBAR1 Q8TDU6 6/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ F3 P13726 1/20 0.53
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ SLC10A1 Q14973 1/20 0.51
▸ CA9 Q16790 3/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ AKR1B10 O60218 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL13304148 0.91 LMNA (0.55) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL5448679 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL22010112 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL13098074 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL12363687 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL13910773 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
Betulone SCHEMBL14374402 0.91 GPBAR1 (0.73) LMNANT5EPTPN1USP2HIF1A
SCHEMBL13293259 0.90 PTGES (0.62) LMNANT5EPTPN1USP2HIF1A
SCHEMBL13293196 0.90 SLC10A1 (0.60) LMNANT5EPTPN1USP2HIF1A
SCHEMBL14134450 0.89 PTPN1 (0.61) LMNANT5EPTPN1USP2HIF1A

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 LMNA 1419/4885NT5E 4392/4885PTPN1 3524/4885

“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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