SCHEMBL3091303

SCHEMBL3091303

CCOC(=O)c1cc2cc(Br)cc(Br)c2oc1=O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.77
GPR35 Q9HC97 1/20 0.63
MAOA P21397 6/20 0.61
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.54
MIF P14174 1/20 0.52
PFKFB3 Q16875 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL16976893 0.83 MAOB (0.76) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL21230746 0.82 MAOB (0.52) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL9319364 0.81 MAOB (0.65) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL30110196 0.80 MAOB (1.00) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL17037289 0.80 MAOB (1.00) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL3087456 0.80 MAOB (0.68) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL1367003 0.79 GPR35 (0.79) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL11484256 0.78 MAOB (0.74) MAOBGPR35MAOAALDH1A1HPGD
SCHEMBL3080344 0.78 GPR35 (1.00) MAOBGPR35MAOAALDH1A1MAPT
SCHEMBL17037298 0.78 MAOB (0.61) MAOBMAOAALDH1A1MAPTHPGD

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-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-2902388-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF Yantai University (CN) 2015-08-05 EP 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
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 WO disclosed
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2010-10-21 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-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF OGDH, C9, IRAK3 MAOB 2720/4885GPR35 3949/4885MAOA 3987/4885
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY DPM1, XPO5, NISCH MAOB 3597/4885GPR35 4086/4885MAOA 3643/4885

“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.