SCHEMBL5956476

SCHEMBL5956476

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

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.74
▸ NT5E P21589 5/20 0.69
▸ PTPN1 P18031 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ TOP2A P11388 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ CA9 Q16790 4/20 0.66
▸ SLC10A1 Q14973 2/20 0.65
▸ PRKCD Q05655 1/20 0.63
▸ CETP P11597 1/20 0.62
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61

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
SCHEMBL6112807 0.92 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL10214430 0.92 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL2733537 0.92 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL14345008 0.92 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
SCHEMBL214200 0.92 PTGES (0.83) PTGESNT5EPTPN1USP2LMNA
Water SCHEMBL8584387 0.91 PTGES (0.82) PTGESNT5EPTPN1USP2LMNA
SCHEMBL13855630 0.90 PTGES (0.72) PTGESNT5EPTPN1USP2LMNA
SCHEMBL13573803 0.90 NT5E (0.75) PTGESNT5EPTPN1USP2LMNA
SCHEMBL5454249 0.90 NT5E (0.75) PTGESNT5EPTPN1USP2LMNA
SCHEMBL554507 0.89 PRKCD (0.80) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 — — US claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 — — WO claimed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 — — EP claimed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 — — US claimed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 — — WO claimed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 — — US disclosed
WO-2005077377-A1 COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-08-25 — — WO disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 — — US disclosed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 — — WO disclosed
US-6642217-B2 Treating a fungal or yeast infection such as with betulin, allobetulin, and lupeol NATURTEK, LLC 2003-11-04 — — US disclosed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 — — EP disclosed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 — — US disclosed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 — — 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 (3 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-20020128210-A1 Triterpenes having human antifungal and antiyeast activity ERG28, LSS, MANBA PTGES 1150/4885NT5E 1530/4885PTPN1 4365/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 PTGES 183/4885NT5E 1732/4885PTPN1 3052/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 PTGES 856/4885NT5E 1569/4885PTPN1 2655/4885

“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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