SCHEMBL12428818

SCHEMBL12428818

CCCCOc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.58
MAOA P21397 2/20 0.58
PPARD Q03181 1/20 0.55
MCL1 Q07820 1/20 0.54
PTPN11 Q06124 1/20 0.49

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
SCHEMBL25797602 0.95 MAOB (0.58) MAOBMAOAPPARDPTPN11
SCHEMBL26331469 0.95 MAOB (0.58) MAOBMAOAPPARDPTPN11
SCHEMBL1415014 0.93 MAOB (0.58) MAOBMAOAPPARDMCL1
SCHEMBL5711594 0.87 MAOB (0.74) MAOBMAOAPPARD
SCHEMBL1576849 0.87 MCL1 (0.69) MCL1PTPN11
SCHEMBL29623897 0.87 MCL1 (0.69) MCL1PTPN11
SCHEMBL3652542 0.86 MAOB (0.61) MAOBMAOA
SCHEMBL8787008 0.86 MAOB (0.55) MAOBMAOAPPARD
SCHEMBL25797604 0.86 MAOB (0.55) MAOBMAOAPPARD
SCHEMBL28474199 0.85 MAOB (0.57) MAOBMAOAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016180349-A1 BIPHENYL DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREFOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 WO disclosed
EP-1917253-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-2125759-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
WO-2008090193-A2 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 WO disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
WO-2007020227-A1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOB 200/4885MAOA 175/4885PPARD 2878/4885
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOB 200/4885MAOA 175/4885PPARD 2878/4885

“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.