SCHEMBL12428822

SCHEMBL12428822

CCCCOc1cc(N)c(O)c(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.44
▸ PLA2G2A P14555 1/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ CA12 O43570 1/20 0.41

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
SCHEMBL12648406 0.77 ESR1 (0.49) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL20286523 0.77 MAPT (0.37) MAOBMAPTALDH1A1MEN1GAA
SCHEMBL11074257 0.77 ALDH1A1 (0.49) MAPTALDH1A1MEN1NPC1GAA
SCHEMBL12428818 0.76 MAOB (0.58) MAOBPPARD
SCHEMBL561095 0.75 MAOB (0.62) MAOBMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL25990580 0.74 CA1 (0.43) PLA2G2AMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL6558451 0.73 LMNA (0.57) MAOBMAPTL3MBTL1LMNATSHR
SCHEMBL5711594 0.73 MAOB (0.74) MAOBPPARDALDH1A1
SCHEMBL7648311 0.73 PPARG (0.41) MAOBPPARDMAPTL3MBTL1KMT2A
SCHEMBL26331469 0.73 MAOB (0.58) MAOBPPARDTSHR

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 200/4885PLA2G2A 1439/4885PPARD 2878/4885
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOB 200/4885PLA2G2A 1439/4885PPARD 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.

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