SCHEMBL6715660

SCHEMBL6715660

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ NT5E P21589 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ TOP2A P11388 1/20 0.58
▸ PTPN1 P18031 1/20 0.58
▸ PTGES O14684 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ F3 P13726 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ CA9 Q16790 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ GLI1 P08151 1/20 0.42

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
SCHEMBL7747717 1.00 LMNA (0.58) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374330 0.90 LMNA (0.57) LMNANT5ERELAUSP2HIF1A
SCHEMBL5447022 0.90 LMNA (0.57) LMNANT5ERELAUSP2HIF1A
SCHEMBL5444835 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374306 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14397737 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374327 0.88 LMNA (0.55) LMNANT5ERELAUSP2HIF1A
SCHEMBL5439801 0.88 LMNA (0.55) LMNANT5ERELAUSP2HIF1A
SCHEMBL14399285 0.87 LMNA (0.54) LMNANT5ERELAUSP2HIF1A
SCHEMBL14400884 0.87 LMNA (0.54) LMNANT5ERELAUSP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410958-B2 Triterpene quaternary salts as biologically active surfactants REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-12 — — US disclosed
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 — — US disclosed
US-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 — — US disclosed
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESTOA 2007-10-18 — — US disclosed
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS KRASUTSKY PAVEL A 2007-04-19 — — US disclosed
US-7199114-B2 Triterpene quaternary salts as biologically active surfactants THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-03 — — US 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
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 (6 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 LMNA 1689/4885NT5E 1530/4885RELA 2469/4885
US-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB LMNA 3796/4885NT5E 2092/4885RELA 152/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS LMNA 2543/4885NT5E 1168/4885RELA 404/4885
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB LMNA 3796/4885NT5E 2092/4885RELA 152/4885
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB LMNA 3796/4885NT5E 2092/4885RELA 152/4885
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB LMNA 3796/4885NT5E 2092/4885RELA 152/4885

“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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