SCHEMBL13293168

SCHEMBL13293168

C=C(C)[C@@H]1CC[C@]2(COC3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.60
▸ LMNA P02545 2/20 0.60
▸ NT5E P21589 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CA9 Q16790 4/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PTGES O14684 1/20 0.46
▸ EGLN2 Q96KS0 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ EGLN3 Q9H6Z9 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45

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
SCHEMBL14398336 1.00 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL5446921 1.00 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910807 0.93 GPBAR1 (0.51) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910764 0.92 SLC10A1 (0.51) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910836 0.91 GPBAR1 (0.49) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13293161 0.89 EGLN2 (0.56) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910838 0.88 GPBAR1 (0.46) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14398798 0.86 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL13910944 0.86 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9
SCHEMBL14374405 0.86 CA9 (0.44) GPBAR1LMNANT5ESMN1; SMN2CA9

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 7 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
US-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof ADVANCED LIFE SCIENCES, INC. (US) 2009-03-05 — — US disclosed
WO-2009020732-A1 LUPANE-TYPE TRITERPENOIDS MODIFIED AT 30-POSITION AND ANALOGUES THEREOF ADVANCED LIFE SCIENCES, INC. (US) 2009-02-12 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GPBAR1 225/4885LMNA 4313/4885NT5E 3553/4885
US-20090062243-A1 Lupane-Type Triterpenoids Modified at 30-Position and Analogues Thereof BRCA1, PGF, GPER1 GPBAR1 276/4885LMNA 352/4885NT5E 4069/4885
US-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids BRCA1, PGF, LSS GPBAR1 465/4885LMNA 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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