SCHEMBL1808756

SCHEMBL1808756

COC(=O)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.71
ALDH1A1 P00352 5/20 0.69
HTT P42858 3/20 0.69
USP2 O75604 2/20 0.69
GRIN1 Q05586 1/20 0.68
GRIN2A Q12879 1/20 0.68
GRIN2B Q13224 1/20 0.68
GRIN2C Q14957 1/20 0.68
GPR35 Q9HC97 1/20 0.68
HPGD P15428 3/20 0.67
KDM4E B2RXH2 3/20 0.67
CA12 O43570 1/20 0.67
CA2 P00918 1/20 0.67
CA3 P07451 1/20 0.67
CA6 P23280 1/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CA5B Q9Y2D0 1/20 0.67

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
SCHEMBL11484256 0.85 MAOB (0.74) MAOAALDH1A1HTTUSP2GRIN1
SCHEMBL29985431 0.84 KDM4E (0.68) MAOAALDH1A1HPGDKDM4ECA12
SCHEMBL17903545 0.84 MAOB (0.72) MAOAALDH1A1HPGDKDM4ECA12
SCHEMBL18589240 0.84 MAOB (0.70) MAOAALDH1A1HPGDKDM4ECA12
SCHEMBL980429 0.83 MAOA (1.00) MAOAALDH1A1HTTUSP2GRIN1
SCHEMBL1367996 0.83 GRIN1 (0.79) MAOAALDH1A1HTTUSP2GRIN1
SCHEMBL1367953 0.83 GRIN1 (0.79) MAOAALDH1A1HTTUSP2GRIN1
SCHEMBL22502678 0.82 MEN1 (0.72) MAOAALDH1A1GPR35HPGDKDM4E
SCHEMBL6835643 0.82 KDM4E (0.76) ALDH1A1HPGDKDM4ECA12CA2
SCHEMBL10651297 0.82 KDM4E (0.67) MAOAALDH1A1HPGDKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103626730-A Preparation method for coumarin-3-carboxylic ester derivative UNIV ANHUI NORMAL 2014-03-12 CN disclosed
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP 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-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
CN-101014580-A Morpholine compound MITSUBISHI PHARMA CORP (JP) 2007-08-08 CN disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
WO-2000021941-A1 BIOMIMETIC CHELATING AGENTS AND METHODS SYNCHEM RESERACH, INC. (CA) 2000-04-20 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 (1 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 MAOA 3792/4885ALDH1A1 2661/4885HTT 2964/4885

“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.