SCHEMBL5446858

SCHEMBL5446858

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.67
▸ GPBAR1 Q8TDU6 11/20 0.56
▸ PRKCD Q05655 1/20 0.56
▸ NR1H4 Q96RI1 1/20 0.51
▸ PTPN1 P18031 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TOP2A P11388 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL14374284 1.00 SLC10A1 (0.67) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL13910917 0.88 SLC10A1 (0.54) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL14400877 0.87 PTPN1 (0.51) SLC10A1GPBAR1PRKCDPTPN1USP2
SCHEMBL13098042 0.86 PTPN1 (0.68) SLC10A1GPBAR1PTPN1USP2LMNA
SCHEMBL5448725 0.86 PTPN1 (0.68) SLC10A1GPBAR1PTPN1USP2LMNA
SCHEMBL13293181 0.86 PTPN1 (0.68) SLC10A1GPBAR1PTPN1USP2LMNA
SCHEMBL14344644 0.84 SLC10A1 (0.46) SLC10A1GPBAR1PTPN1USP2LMNA
SCHEMBL3781420 0.84 SLC10A1 (0.80) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL5451153 0.84 SLC10A1 (0.45) SLC10A1GPBAR1PRKCDLMNANT5E
Dihydrobetulin SCHEMBL24223727 0.81 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4PTPN1

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 SLC10A1 2120/4885GPBAR1 225/4885PRKCD 1907/4885

“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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