SCHEMBL14374382

SCHEMBL14374382

C=C(C)[C@@H]1CC[C@]2(COC3CCCCO3)CCC3[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABCB1 P08183 1/20 0.32
▸ CA9 Q16790 3/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GPBAR1 Q8TDU6 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ GLI1 P08151 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5439771 0.86 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14374405 0.86 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14398798 0.86 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL13910944 0.86 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14374379 0.82 HSD17B10 (0.36) HSD17B10TDP1ABCB1CA9CA1
SCHEMBL14400879 0.76 CA9 (0.32) TDP1CA9CA1CA2GPBAR1
SCHEMBL5442037 0.74 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14400883 0.74 CA9 (0.44) CA9CA1CA2GPBAR1LMNA
SCHEMBL14374286 0.74 TDP1 (0.41) TDP1GPBAR1
SCHEMBL5452414 0.71 MGAM (0.43) CA9CA1CA2GPBAR1LMNA

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 2 patents. 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
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 HSD17B10 2825/4885TDP1 3403/4885ABCB1 347/4885

“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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