SCHEMBL980429

SCHEMBL980429

CC(=O)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 1.00
GRIN1 Q05586 1/20 0.74
GRIN2A Q12879 1/20 0.74
GRIN2B Q13224 1/20 0.74
GRIN2C Q14957 1/20 0.74
GPR35 Q9HC97 1/20 0.74
ALDH2 P05091 1/20 0.71
ALDH1A3 P47895 1/20 0.71
MAOB P27338 4/20 0.69
ALDH1A1 P00352 5/20 0.66
HTT P42858 3/20 0.66
USP2 O75604 2/20 0.66
F12 P00748 1/20 0.64
KDM4E B2RXH2 4/20 0.64
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
CYP1A2 P05177 1/20 0.64
NT5E P21589 1/20 0.64
HPGD P15428 2/20 0.62
KMT2A Q03164 3/20 0.59

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
SCHEMBL15066602 0.87 MAOA (0.77) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1367996 0.87 GRIN1 (0.79) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1367953 0.87 GRIN1 (0.79) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL569881 0.85 GPR35 (1.00) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL3273927 0.84 GRIN1 (0.74) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1808756 0.83 MAOA (0.71) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1365809 0.83 GRIN1 (0.72) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL14642321 0.82 MAOB (0.77) MAOAMAOBALDH1A1F12KDM4E
SCHEMBL3065914 0.81 TSHR (0.71) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL17037285 0.81 MAOB (1.00) MAOAGPR35MAOBALDH1A1F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690042-B Simultaneous detection of ONOO-And H2Fluorescent probe of S and synthetic method and application thereof 山东师范大学 2020-03-27 CN claimed
CN-108690042-B Simultaneous detection of ONOO-And H2Fluorescent probe of S and synthetic method and application thereof 山东师范大学 2020-03-27 CN disclosed
US-9518038-B2 Condensation product of theanine derivative and carboxylic acid coumarin derivative, its intermediate, preparation method and use thereof SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC. (CN) 2016-12-13 US disclosed
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF ZHANG, GUOYING (CN) 2015-08-27 US disclosed
EP-2825261-A1 POLYPEPTIDES AND THEIR USE Novabiotics Limited (GB) 2015-01-21 EP disclosed
US-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 US disclosed
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 WO disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
CN-101014580-B Morpholine compound MITSUBISHI PHARMA CORP 2011-05-04 CN disclosed
US-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2005-07-07 US disclosed
US-6906105-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN J PHILLIP (US) 2005-06-14 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
WO-2004016349-A2 METHOD AND DEVICE FOR THE INTERMOLECULAR TRANSPORT OF BOND CLEAVAGE ACTIVATION ENERGY THROUGH SPACE CHEMOGENIX GMBH (DE) 2004-02-26 WO disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
US-6462075-B1 USE OF CHALCONE AND ITS DERIVATIVES AS ANTITUMOR/ANTICANCER AGENTS AND TO TREAT A NUMBER OF CONDITIONS OR DISEASE STATES IN WHICH ANGIOGENESIS IS A FACTOR INCLUDING PSORIASIS, ACNE, ROSACEA, WARTS, ECZEMA, HEMANGIOMAS AND LYMPHANGIOGENESIS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2002-10-08 US 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-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, VEGFA, FLT4 MAOA 1059/4885GRIN1 4816/4885GRIN2A 4803/4885
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF OGDH, C9, IRAK3 MAOA 3987/4885GRIN1 2917/4885GRIN2A 3247/4885

“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.