SCHEMBL3956749

SCHEMBL3956749

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(OC(=O)CBr)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.70
▸ NT5E P21589 4/20 0.68
▸ PTPN1 P18031 2/20 0.68
▸ USP2 O75604 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ TOP2A P11388 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ CA9 Q16790 4/20 0.65
▸ PRKCD Q05655 1/20 0.65
▸ SLC10A1 Q14973 2/20 0.65
▸ CETP P11597 1/20 0.63
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60

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
SCHEMBL8230670 1.00 PTGES (0.70) PTGESNT5EPTPN1USP2LMNA
SCHEMBL4253079 1.00 PTGES (0.70) PTGESNT5EPTPN1USP2LMNA
SCHEMBL13855630 0.93 PTGES (0.72) PTGESNT5EPTPN1USP2LMNA
SCHEMBL13855650 0.92 CA9 (0.69) PTGESNT5EPTPN1USP2LMNA
SCHEMBL4248605 0.92 CA9 (0.69) PTGESNT5EPTPN1USP2LMNA
SCHEMBL13855631 0.91 PTGES (0.70) PTGESNT5EPTPN1USP2LMNA
SCHEMBL2733537 0.91 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL14345008 0.91 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL214200 0.91 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL10214430 0.91 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012795-A4 THERAPEUTIC TRITERPENOIDS UNIV MINNESOTA (US) 2009-07-22 — — EP disclosed
US-20090136566-A1 THERAPEUTIC TRITERPENOIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-05-28 — — US disclosed
EP-2012795-A2 THERAPEUTIC TRITERPENOIDS Regents of the University of Minnesota (US) 2009-01-14 — — EP disclosed
WO-2007121352-A2 THERAPEUTIC TRITERPENOIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-10-25 — — WO 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 PTGES 144/4885NT5E 2373/4885PTPN1 3600/4885

“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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