SCHEMBL4451477

SCHEMBL4451477

CC1=C(CCc2ccoc2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SULT1E1 P49888 1/20 0.59
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H4 Q96RI1 3/20 0.33
CDC25A P30304 2/20 0.30
PTPN1 P18031 1/20 0.30
DUSP3 P51452 1/20 0.30
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 1/20 0.30
ATP1A2 P50993 1/20 0.30
ATP1B3 P54709 1/20 0.30
FXYD2 P54710 1/20 0.30
ATP1A4 Q13733 1/20 0.30

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
SCHEMBL8885745 0.84 SULT1E1 (0.48) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL13446722 0.74 SULT1E1 (1.00) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL4460072 0.71 ALDH1A1 (0.61) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL26472020 0.66 ALDH1A1 (0.55) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL2784576 0.66 ALDH1A1 (0.55) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL29768747 0.64 SULT1E1 (0.52) SULT1E1ALDH1A1MAPTUSP2CYP3A4
SCHEMBL8670495 0.59 ALOX5 (0.43) SULT1E1ALDH1A1MAPTPTPN1DUSP3
Hypopurin A SCHEMBL31237274 0.58 JUN (0.35) SULT1E1GAATSHRMAPTCYP3A4
Fraxinellone SCHEMBL25272092 0.57 GAA (1.00) SULT1E1GAATSHRALDH1A1MAPT
Fraxinellone SCHEMBL17503654 0.57 GAA (1.00) SULT1E1GAATSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865229-B2 Marrubiin and composition for reducing snoring, package and method PURANOX MEDICAL B.V. (NL) 2014-10-21 US disclosed
US-20110305780-A1 Marrubiin and composition for reducing snoring, package and method PURANOX MEDICAL B.V. (NL) 2011-12-15 US disclosed
EP-1915166-B1 MARRUBIIN AND COMPOSITION FOR REDUCING SNORING, PACKAGE AND METHOD PURANOX MEDICAL B V (NL) 2009-05-20 EP disclosed
US-20080305192-A1 Marrubiin and Composition For Reducing Snoring, Package and Method PURANOX MEDICAL B.V. (NL) 2008-12-11 US disclosed
CN-101257913-A Marrubiin and composition for reducing snoring, package and method PURANOX MEDICAL B V (NL) 2008-09-03 CN disclosed
EP-1915166-A2 MARRUBIIN AND COMPOSITION FOR REDUCING SNORING, PACKAGE AND METHOD Puranox Medical B.V. (NL) 2008-04-30 EP disclosed
WO-2007018432-A2 MARRUBIIN AND COMPOSITION FOR REDUCING SNORING, PACKAGE AND METHOD PURANOX MEDICAL B.V. (NL) 2007-02-15 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 (2 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-20080305192-A1 Marrubiin and Composition For Reducing Snoring, Package and Method NISCH, UTRN, MTPN SULT1E1 2786/4885GAA 2861/4885TSHR 2388/4885
US-20110305780-A1 Marrubiin and composition for reducing snoring, package and method NISCH, UTRN, MTPN SULT1E1 2933/4885GAA 2939/4885TSHR 2744/4885

“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.