SCHEMBL14806849

SCHEMBL14806849

BrCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCCBr)c4)c4ccc([nH]4)c(-c4cccc(OCCCCCCBr)c4)c4nc(c(-c5cccc(OCCCCCCBr)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TOP1 P11387 1/20 0.39
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC7 Q8WUI4 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 0.39
▸ HDAC11 Q96DB2 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ HDAC9 Q9UKV0 6/20 0.39
▸ HDAC5 Q9UQL6 6/20 0.39
▸ TERT O14746 3/20 0.39
▸ CYCS P99999 3/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37

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
SCHEMBL14806867 1.00 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
Magnesium SCHEMBL27976597 0.99 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
SCHEMBL14806858 0.99 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
SCHEMBL14806856 0.99 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
SCHEMBL15939977 0.99 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
Zinc Ion SCHEMBL15899296 0.99 MAOA (0.40) MAOAMAOBTOP1HDAC3HDAC4
SCHEMBL584884 0.88 TSHR (0.47) TERTPPARGPPARA
SCHEMBL27814700 0.85 TOP1 (0.48) TOP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8909559 0.85 TERT (0.42) TOP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6843058 0.85 CYP1A2 (0.48) TERT

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
EP-2759546-B1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND ITS USE AS CARBON DIOXIDE FIXATION CATALYST, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE NAT UNIV CORPORATION OKAYAMA UNIV (JP) 2018-03-21 — — EP disclosed
CN-103987714-B The manufacture method of metalloporphyrin coordination compound, its manufacture method and the carbon dioxide fixation catalyzer be made up of it and cyclic carbonate NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2016-03-16 — — CN disclosed
US-9211534-B2 Metalloporphyrin complex, manufacturing process therefor and carbon dioxide fixation catalyst therefrom, as well as process for manufacturing cyclic carbonate NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-12-15 — — US disclosed
US-20140228561-A1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND CARBON DIOXIDE FIXATION CATALYST THEREFROM, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2014-08-14 — — US disclosed
CN-103987714-A Metal porphyrin complex, method for producing same, carbon dioxide immobilization catalyst comprising same, and method for producing cyclic carbonic acid ester. UNIV OKAYAMA NAT UNIV CORP 2014-08-13 — — CN disclosed
EP-2759546-A1 METAL PORPHYRIN COMPLEX, METHOD FOR PRODUCING SAME, CARBON DIOXIDE IMMOBILIZATION CATALYST COMPRISING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONIC ACID ESTER. National University Corporation Okayama University (JP) 2014-07-30 — — EP disclosed
WO-2013042695-A1 METAL PORPHYRIN COMPLEX, METHOD FOR PRODUCING SAME, CARBON DIOXIDE IMMOBILIZATION CATALYST COMPRISING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONIC ACID ESTER. 国立大学法人岡山大学 (JP) 2013-03-28 — — 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-20140228561-A1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND CARBON DIOXIDE FIXATION CATALYST THEREFROM, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE CYP4F11, CYP4F2, CYP4F12 MAOA 3058/4885MAOB 3231/4885TOP1 4462/4885

“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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