SCHEMBL14806854

SCHEMBL14806854

BrCCCCCCOc1cccc(C2=C3C=CC(=N3)C(c3cccc(OCCCCCCBr)c3)=C3C=CC(=N3)C(c3cccc(OCCCCCCBr)c3)=C3C=CC(=N3)C(c3cccc(OCCCCCCBr)c3)=C3C=CC2=N3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ PRSS1 P07477 6/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HDAC1 Q13547 5/20 0.36
▸ HDAC2 Q92769 5/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL14806869 1.00 MAOA (0.40) MAOAMAOBPRSS1HRH3HDAC1
SCHEMBL14806861 0.99 MAOA (0.39) MAOAMAOBPRSS1HRH3HDAC1
SCHEMBL584885 0.87 TSHR (0.50) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL8909566 0.84 NOS3 (0.40) PRSS1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL585273 0.82 MAOA (0.34) MAOAMAOBCYP1A2CYP19A1CYP2C9
SCHEMBL585410 0.81 TSHR (0.44) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL2199999 0.81 TSHR (0.44) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL14806868 0.81 TSHR (0.44) MAOAHRH3CYP1A2CYP19A1CYP2C9
SCHEMBL14806866 0.81 CHRNA7 (0.44) HRH3
SCHEMBL27793466 0.78 LSS (0.40) HRH3HDAC1HDAC2HDAC8HDAC6

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 6 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
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 3231/4885PRSS1 2112/4885

“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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