SCHEMBL11484256

SCHEMBL11484256

CCOC(=O)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.74
MAOA P21397 2/20 0.74
CA12 O43570 3/20 0.70
CA9 Q16790 3/20 0.70
CA2 P00918 2/20 0.70
CA3 P07451 2/20 0.70
CA4 P22748 2/20 0.70
CA6 P23280 2/20 0.70
CA7 P43166 2/20 0.70
CA14 Q9ULX7 2/20 0.70
CA5B Q9Y2D0 1/20 0.70
ALDH1A1 P00352 6/20 0.67
USP2 O75604 2/20 0.64
GRIN1 Q05586 1/20 0.63
GRIN2A Q12879 1/20 0.63
GRIN2B Q13224 1/20 0.63
GRIN2C Q14957 1/20 0.63
GPR35 Q9HC97 1/20 0.63
MIF P14174 1/20 0.62
PFKFB3 Q16875 1/20 0.62

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
SCHEMBL21585388 0.89 MIF (0.74) MAOBMAOACA12CA9CA2
SCHEMBL25697207 0.87 MAOB (0.63) MAOBMAOACA12CA9CA2
SCHEMBL30595106 0.86 MAOB (0.78) MAOBMAOACA12CA9CA2
SCHEMBL11486663 0.86 MAOB (0.78) MAOBMAOACA12CA9CA2
SCHEMBL6417829 0.85 MAOB (1.00) MAOBMAOACA12CA9CA2
SCHEMBL18752370 0.85 CA12 (0.85) MAOBMAOACA12CA9CA2
SCHEMBL1808756 0.85 MAOA (0.71) MAOACA12CA9CA2CA3
SCHEMBL25213073 0.84 MAOB (0.74) MAOBMAOACA12CA9CA2
SCHEMBL11485550 0.84 MAOB (0.74) MAOBMAOACA12CA9CA2
SCHEMBL25207493 0.84 MAOB (0.74) MAOBMAOACA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794266-A Hole transport layer, perovskite solar cell, and preparation method and application thereof 中国科学院化学研究所 2024-03-29 CN disclosed
EP-2902388-B1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY INC (CN) 2019-03-13 EP disclosed
CN-104144919-B Theanine derivatives and the condensation product of carboxylic acid coumarin derivative and its intermediate, preparation method and use 山东营东颖昊生物科技有限公司 2018-07-03 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-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-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-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 US disclosed
US-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 US disclosed
EP-2295053-B1 Novel 2H-chromen-2-one-3-carboxamides for medical uses INST MATERIA MEDICA CAMS (CN) 2016-10-19 EP disclosed
CN-103626730-B A kind of preparation method of Coumarin-3-carboxylic ester derivant 安徽师范大学 2016-08-17 CN 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
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
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-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
CN-103690528-A Application of ethyl 6-bromocoumarin-3-carboxylyl L-theanine and the like in preparation of product used for preventing and treating disease such as cancers UNIV YANTAI 2014-04-02 CN disclosed
CN-103626730-A Preparation method for coumarin-3-carboxylic ester derivative UNIV ANHUI NORMAL 2014-03-12 CN disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 US disclosed
US-4201783-A Antidepressant substituted hexahydro benzopyrano [3,2-c] pyridines LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1980-05-06 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-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy PFKFB3, PFKFB2, PFKFB1 MAOB 2055/4885MAOA 3633/4885CA12 3682/4885
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF OGDH, C9, IRAK3 MAOB 2720/4885MAOA 3987/4885CA12 1593/4885

“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.