SCHEMBL5956480

SCHEMBL5956480

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.72
▸ USP2 O75604 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HIF1A Q16665 2/20 0.72
▸ NT5E P21589 2/20 0.72
▸ TOP2A P11388 2/20 0.72
▸ RELA Q04206 1/20 0.72
▸ ALB P02768 2/20 0.68
▸ GPBAR1 Q8TDU6 2/20 0.68
▸ AKR1B10 O60218 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ GLI1 P08151 1/20 0.68
▸ AKR1B1 P15121 1/20 0.68
▸ DPP4 P27487 1/20 0.68
▸ RORC P51449 1/20 0.68
▸ SAE1 Q9UBE0 1/20 0.68
▸ UBA2 Q9UBT2 1/20 0.68
▸ CES2 O00748 1/20 0.63
▸ CES1 P23141 1/20 0.63
▸ CA9 Q16790 3/20 0.62

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
Water SCHEMBL8586171 0.93 PTPN1 (0.75) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16983599 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL15120375 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13573802 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13098063 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL6112842 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL2733084 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16994315 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL214201 0.92 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL210109 0.90 PTPN1 (0.73) PTPN1USP2LMNAHIF1ANT5E

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 PTPN1 4365/4885USP2 4394/4885LMNA 1689/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 PTPN1 3052/4885USP2 4386/4885LMNA 3225/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 PTPN1 2655/4885USP2 4585/4885LMNA 1662/4885

“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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