SCHEMBL19685628

SCHEMBL19685628

CC(=O)OC[C@]12CCC[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.66
CA9 Q16790 1/20 0.56
PTGES O14684 1/20 0.49
HSD11B1 P28845 2/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL14135805 0.91 SLC10A1 (0.60) SLC10A1CA9PTGESHSD11B1PTPN1
SCHEMBL14135799 0.89 PTPN1 (0.54) SLC10A1PTPN1
SCHEMBL15074887 0.84 SLC10A1 (0.75) SLC10A1CA9PTGES
SCHEMBL23766686 0.82 GPBAR1 (0.53) SLC10A1CA9HSD11B1
Betulin Diacetate SCHEMBL14134382 0.82 SLC10A1 (0.85) SLC10A1CA9PTGESPTPN1
SCHEMBL22571118 0.82 SLC10A1 (0.71) SLC10A1CA9
Betulin Diacetate SCHEMBL10001907 0.82 SLC10A1 (0.85) SLC10A1CA9PTGESPTPN1
SCHEMBL24223619 0.82 SLC10A1 (0.71) SLC10A1CA9
Betulin Diacetate SCHEMBL21800881 0.82 SLC10A1 (0.85) SLC10A1CA9PTGESPTPN1
SCHEMBL24223618 0.82 SLC10A1 (0.71) SLC10A1CA9

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-20170348324-A1 DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC (US) 2017-12-07 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-20170348324-A1 DERIVATIVES OF BETULIN BET1, TMPO, PGGT1B SLC10A1 112/4885CA9 3476/4885PTGES 1428/4885

“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.