SCHEMBL5956741

SCHEMBL5956741

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

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.82
▸ PRKCD Q05655 1/20 0.73
▸ PTGES O14684 2/20 0.65
▸ PTPN1 P18031 2/20 0.61
▸ CES2 O00748 1/20 0.61
▸ TOP2A P11388 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ NR1H4 Q96RI1 1/20 0.59
▸ NT5E P21589 6/20 0.57
▸ CA9 Q16790 1/20 0.56
▸ PRKCG P05129 1/20 0.56

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
SCHEMBL6741278 0.95 PRKCD (0.81) CETPPRKCDPTGESPTPN1CES2
SCHEMBL7746354 0.95 PRKCD (0.81) CETPPRKCDPTGESPTPN1CES2
SCHEMBL5956717 0.95 PRKCD (0.81) CETPPRKCDPTGESPTPN1CES2
SCHEMBL6741284 0.93 PRKCD (0.75) CETPPRKCDPTGESPTPN1CES2
SCHEMBL15496672 0.92 CETP (0.69) CETPPRKCDPTGESPTPN1CES2
SCHEMBL564481 0.92 CETP (0.69) CETPPRKCDPTGESPTPN1CES2
SCHEMBL564480 0.92 CETP (0.69) CETPPRKCDPTGESPTPN1CES2
SCHEMBL1867184 0.89 CETP (0.81) CETPPRKCDPTGESPTPN1TOP2A
SCHEMBL13908747 0.89 PRKCD (0.67) CETPPRKCDPTGESPTPN1CES2
SCHEMBL5956497 0.89 PRKCD (0.67) CETPPRKCDPTGESPTPN1CES2

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 21 patents — showing the first 20. 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
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 — — US claimed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 — — US 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
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 — — US claimed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 — — WO 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-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 — — US 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
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 — — US disclosed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 — — WO 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 (5 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 CETP 982/4885PRKCD 3711/4885PTGES 1150/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 CETP 2190/4885PRKCD 460/4885PTGES 183/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS CETP 1258/4885PRKCD 4294/4885PTGES 435/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 CETP 280/4885PRKCD 2858/4885PTGES 856/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS CETP 1258/4885PRKCD 4294/4885PTGES 435/4885

“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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