SCHEMBL13293243

SCHEMBL13293243

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ SLC10A1 Q14973 2/20 0.41
▸ GPBAR1 Q8TDU6 5/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NT5E P21589 2/20 0.39
▸ TOP2A P11388 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ F3 P13726 1/20 0.37
▸ PTGES O14684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13293160 0.92 EGLN2 (0.54) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13293265 0.86 LMNA (0.54) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13304151 0.86 LMNA (0.54) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13293261 0.83 GPBAR1 (0.59) EGLN2EGLN1EGLN3P4HTMGPBAR1
SCHEMBL13304146 0.83 GPBAR1 (0.59) EGLN2EGLN1EGLN3P4HTMGPBAR1
SCHEMBL13293239 0.81 GPBAR1 (0.51) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13293241 0.80 LMNA (0.55) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13304147 0.80 SLC10A1 (0.67) EGLN2EGLN1EGLN3P4HTMSLC10A1
SCHEMBL13293242 0.79 CES2 (0.47) SLC10A1GPBAR1LMNANT5ETOP2A
SCHEMBL13164848 0.79 TOP2A (0.59) EGLN2EGLN1EGLN3P4HTMSLC10A1

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 EGLN2 1377/4885EGLN1 717/4885EGLN3 907/4885

“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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