SCHEMBL15974254

SCHEMBL15974254

COC(=O)C=Cc1cc(C=CC(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ TYR P14679 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ APP P05067 1/20 0.53
▸ PTPN1 P18031 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ P4HB P07237 2/20 0.47
▸ LMNA P02545 3/20 0.46

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
SCHEMBL15974253 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL17331188 0.96 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL15973974 0.96 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL17344065 0.93 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL17344062 0.90 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL18098004 0.83 P4HB (0.68) CA12CA1CA2CA7CA9
SCHEMBL16749652 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL11332365 0.81 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1133144 0.81 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL13297245 0.81 CA12 (0.53) CA12CA1CA2CA7CA9

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-9539559-B2 Metal-organic frameworks for selective separations THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-10 — — US disclosed
US-20150360201-A1 METAL-ORGANIC FRAMEWORKS FOR SELECTIVE SEPARATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-17 — — US disclosed
WO-2014130246-A1 METAL-ORGANIC FRAMEWORKS FOR SELECTIVE SEPARATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-28 — — 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-20150360201-A1 METAL-ORGANIC FRAMEWORKS FOR SELECTIVE SEPARATIONS OR10J3, MRPS22, MRPS23 CA12 24/4885CA1 297/4885CA2 104/4885

“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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