SCHEMBL16034810

SCHEMBL16034810

Cc1ccc(O)c([C@@H](CCC(=O)O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
CHRM1 P11229 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
HRH1 P35367 2/20 0.45
LMNA P02545 2/20 0.45
ADRA1A P35348 2/20 0.45
ESR1 P03372 1/20 0.45
CHRM4 P08173 1/20 0.45
MAPT P10636 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45

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
SCHEMBL31318073 1.00 GAA (0.46) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL16033677 1.00 GAA (0.46) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL31681701 1.00 GAA (0.46) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL16033675 1.00 GAA (0.46) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL19933891 0.88 CHRM1 (0.46) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL31318072 0.85 CHRM1 (0.40) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL31318070 0.85 CHRM1 (0.40) GAACHRM1CHRM2CHRM5CHRM3
SCHEMBL19933740 0.83 THRA (0.39) FFAR4THRATHRB
SCHEMBL16035083 0.81 TSHR (0.45) TSHR
SCHEMBL7813526 0.74 KMT2A (0.50) GAALMNATSHRKMT2ANPSR1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970090-B1 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND TOTAL SYNTHESIS THEREOF UNIV MACAU (CN) 2019-05-08 EP claimed
US-10011555-B2 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (CN) 2018-07-03 US claimed
US-20180065912-A1 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (MO) 2018-03-08 US claimed
US-9475749-B2 Anti-neurodegenerative natural compound isolated from alpiniae oxyphyllae fructose and their total synthesis UNIVERSITY OF MACAU (CN) 2016-10-25 US claimed
EP-2970090-A2 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND TOTAL SYNTHESIS THEIROF University of Macau (CN) 2016-01-20 EP claimed
US-20140275236-A1 Novel anti-neurodegenerative natural compounds isolated from Alpiniae Oxyphyllae Fructus and their total synthesis UNIVERSITY OF MACAU (MO) 2014-09-18 US claimed
WO-2014141169-A2 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND THEIR TOTAL SYNTHESIS UNIVERSITY OF MACAU (CN) 2014-09-18 WO claimed
EP-2970090-B1 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND TOTAL SYNTHESIS THEREOF UNIV MACAU (CN) 2019-05-08 EP disclosed
US-10011555-B2 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (CN) 2018-07-03 US disclosed
US-10011555-B2 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (CN) 2018-07-03 US disclosed
US-10011555-B2 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (CN) 2018-07-03 US disclosed
US-20180065912-A1 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (MO) 2018-03-08 US disclosed
US-20180065912-A1 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (MO) 2018-03-08 US disclosed
US-9475749-B2 Anti-neurodegenerative natural compound isolated from alpiniae oxyphyllae fructose and their total synthesis UNIVERSITY OF MACAU (CN) 2016-10-25 US disclosed
EP-2970090-A2 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND TOTAL SYNTHESIS THEIROF University of Macau (CN) 2016-01-20 EP disclosed
US-20140275236-A1 Novel anti-neurodegenerative natural compounds isolated from Alpiniae Oxyphyllae Fructus and their total synthesis UNIVERSITY OF MACAU (MO) 2014-09-18 US disclosed
US-20140275236-A1 Novel anti-neurodegenerative natural compounds isolated from Alpiniae Oxyphyllae Fructus and their total synthesis UNIVERSITY OF MACAU (MO) 2014-09-18 US disclosed
US-20140275236-A1 Novel anti-neurodegenerative natural compounds isolated from Alpiniae Oxyphyllae Fructus and their total synthesis UNIVERSITY OF MACAU (MO) 2014-09-18 US disclosed
WO-2014141169-A2 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND THEIR TOTAL SYNTHESIS UNIVERSITY OF MACAU (CN) 2014-09-18 WO disclosed
WO-2014141169-A2 NOVEL ANTI-NEURODEGENERATIVE NATURAL COMPOUNDS ISOLATED FROM ALPINIAE OXYPHYLLAE FRUCTUS AND THEIR TOTAL SYNTHESIS UNIVERSITY OF MACAU (CN) 2014-09-18 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-20140275236-A1 Novel anti-neurodegenerative natural compounds isolated from Alpiniae Oxyphyllae Fructus and their total synthesis SNCA, PARK7, NLN GAA 194/4885CHRM1 2536/4885CHRM2 2846/4885
US-10011555-B2 Methods of treating Parkinson's disease PARK7, SNCA, NLN GAA 77/4885CHRM1 1943/4885CHRM2 1818/4885
US-20180065912-A1 Methods of treating Parkinson's disease PARK7, SNCA, NLN GAA 77/4885CHRM1 1943/4885CHRM2 1818/4885

“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.