SCHEMBL5448725

SCHEMBL5448725

C=C(C)C1CCC2(COC3CCCCO3)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.68
▸ TOP2A P11388 2/20 0.68
▸ USP2 O75604 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ NT5E P21589 2/20 0.68
▸ RELA Q04206 1/20 0.68
▸ CES2 O00748 1/20 0.59
▸ CES1 P23141 1/20 0.59
▸ ALB P02768 3/20 0.57
▸ RORC P51449 3/20 0.57
▸ GPBAR1 Q8TDU6 2/20 0.57
▸ AKR1B10 O60218 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ GLI1 P08151 1/20 0.57
▸ AKR1B1 P15121 1/20 0.57
▸ DPP4 P27487 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ UBA2 Q9UBT2 1/20 0.57
▸ SLC10A1 Q14973 1/20 0.54

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
SCHEMBL13293181 1.00 PTPN1 (0.68) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL13098042 1.00 PTPN1 (0.68) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL14374360 0.92 PTPN1 (0.56) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL5454208 0.90 CA9 (0.58) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL5454212 0.90 CA9 (0.58) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL14400877 0.88 PTPN1 (0.51) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL14374214 0.88 CA9 (0.69) PTPN1NT5ESLC10A1CA9CA1
SCHEMBL13098060 0.88 CA9 (0.69) PTPN1NT5ESLC10A1CA9CA1
SCHEMBL5444226 0.88 CA9 (0.54) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL13910912 0.87 PTPN1 (0.53) PTPN1TOP2AUSP2LMNAHIF1A

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 PTPN1 4086/4885TOP2A 1039/4885USP2 4593/4885

“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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