SCHEMBL14806866

SCHEMBL14806866

C1=CC2=C(c3cccc(OCCCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c3)C3=NC(=C(c4cccc(OCCCCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)c4)C4=NC(=C(c5cccc(OCCCCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)c5)C5=NC(=C(c6cccc(OCCCCCC[P+](c7ccccc7)(c7ccccc7)c7ccccc7)c6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 9/20 0.44
▸ PSMB5 P28074 4/20 0.40
▸ PSMB1 P20618 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL14806854 0.81 MAOA (0.40) HRH3
SCHEMBL14806869 0.81 MAOA (0.40) HRH3
SCHEMBL584885 0.81 TSHR (0.50) —
SCHEMBL14806861 0.80 MAOA (0.39) HRH3
SCHEMBL8909566 0.78 NOS3 (0.40) —
SCHEMBL585410 0.75 TSHR (0.44) —
SCHEMBL14806868 0.75 TSHR (0.44) HRH3
SCHEMBL2199999 0.75 TSHR (0.44) —
SCHEMBL19718135 0.73 PPARG (0.46) —
SCHEMBL6851858 0.73 PLA2G4B (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRNA7 4067/4885PSMB5 2480/4885PSMB1 2143/4885

“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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