SCHEMBL17119841

SCHEMBL17119841

CCN(C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.53
HSP90AB1 P08238 5/20 0.53
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
CYP1A2 P05177 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DBH P09172 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL107199 0.87 CA12 (0.50) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL17424995 0.86 CA12 (0.49) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL11516514 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL14518464 0.82 HDAC4 (0.51) HSP90AA1HSP90AB1MAPTL3MBTL1PDK2
SCHEMBL24162974 0.82 HSP90AA1 (0.75) HSP90AA1HSP90AB1CYP1A2BLMKDM4E
SCHEMBL17119839 0.81 LMNA (0.45) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL18652138 0.81 SIRT1 (0.46) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL24163441 0.80 PDE4A (0.48) HSP90AA1HSP90AB1CYP1A2BLM
SCHEMBL9131982 0.80 CA12 (0.56) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL4499400 0.79 ESRRG (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
WO-2015195179-A2 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-23 WO disclosed
WO-2015161037-A1 VERY LOW DENSITY METAL ORGANIC FRAMEWORKS WITH LARGE PORE VOLUMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-22 WO disclosed
WO-2015157239-A1 FUNCTIONALIZED AND MULTIVARIATE BTB-BASED METAL ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-15 WO disclosed
WO-2015142944-A2 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-24 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 (2 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 HSP90AA1 3047/4885HSP90AB1 4231/4885CA12 535/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS HSP90AA1 3194/4885HSP90AB1 3433/4885CA12 150/4885

“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.