SCHEMBL13855650

SCHEMBL13855650

C=C(C)[C@@H]1CC[C@]2(COC(=O)CBr)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](OC(=O)CBr)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.69
▸ SLC10A1 Q14973 1/20 0.67
▸ PRKCD Q05655 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ CETP P11597 1/20 0.62
▸ PTPN1 P18031 1/20 0.61
▸ NT5E P21589 2/20 0.60
▸ PTGES O14684 1/20 0.60
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HIF1A Q16665 1/20 0.57

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
SCHEMBL4248605 1.00 CA9 (0.69) CA9SLC10A1PRKCDCA1CA2
SCHEMBL5450511 0.96 CA9 (0.75) CA9SLC10A1PRKCDCA1CA2
SCHEMBL4253079 0.92 PTGES (0.70) CA9SLC10A1PRKCDCA1CA2
SCHEMBL3956749 0.92 PTGES (0.70) CA9SLC10A1PRKCDCA1CA2
SCHEMBL8230670 0.92 PTGES (0.70) CA9SLC10A1PRKCDCA1CA2
SCHEMBL13855629 0.91 CA9 (0.71) CA9SLC10A1PRKCDCA1CA2
SCHEMBL14374364 0.91 CA9 (0.61) CA9SLC10A1PRKCDCA1CA2
SCHEMBL5449653 0.91 PTPN1 (0.71) CA9SLC10A1CA1CA2PTPN1
SCHEMBL25816686 0.90 CA9 (0.69) CA9SLC10A1PRKCDCA1CA2
SCHEMBL25815828 0.90 CA9 (0.69) CA9SLC10A1PRKCDCA1CA2

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-20090136566-A1 THERAPEUTIC TRITERPENOIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-05-28 — — US disclosed
US-20090136566-A1 THERAPEUTIC TRITERPENOIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-05-28 — — 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-20090136566-A1 THERAPEUTIC TRITERPENOIDS EBP, PGGT1B, LIPC CA9 3407/4885SLC10A1 1248/4885PRKCD 763/4885

“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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