SCHEMBL5444459

SCHEMBL5444459

CC(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 10/20 0.56
▸ SLC10A1 Q14973 1/20 0.54
▸ NOS2 P35228 2/20 0.42
▸ MBOAT4 Q96T53 1/20 0.41
▸ GPBAR1 Q8TDU6 2/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL14400846 1.00 TDP1 (0.56) TDP1SLC10A1NOS2MBOAT4GPBAR1
SCHEMBL14400890 0.86 NOS2 (0.42) TDP1SLC10A1NOS2MBOAT4GPBAR1
SCHEMBL5445741 0.86 GPBAR1 (0.55) NOS2GPBAR1PRKCD
SCHEMBL14398788 0.86 GPBAR1 (0.55) NOS2GPBAR1PRKCD
SCHEMBL14400845 0.86 GPBAR1 (0.55) NOS2GPBAR1PRKCD
SCHEMBL5446572 0.85 SLC10A1 (0.55) TDP1SLC10A1GPBAR1PRKCDUSP2
SCHEMBL14374307 0.85 SLC10A1 (0.55) TDP1SLC10A1GPBAR1PRKCDUSP2
SCHEMBL14399285 0.85 LMNA (0.54) SLC10A1NOS2MBOAT4GPBAR1USP2
SCHEMBL14400884 0.85 LMNA (0.54) SLC10A1NOS2MBOAT4GPBAR1USP2
SCHEMBL5442406 0.83 TDP1 (0.43) TDP1SLC10A1NOS2MBOAT4GPBAR1

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-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 (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-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 TDP1 3403/4885SLC10A1 2120/4885NOS2 818/4885

“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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