SCHEMBL18652138

SCHEMBL18652138

CN(CC(C)(C)C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
HSP90AA1 P07900 5/20 0.45
HSP90AB1 P08238 5/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DBH P09172 1/20 0.43
RECQL P46063 1/20 0.43
XDH P47989 1/20 0.43

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
SCHEMBL18650129 0.87 PDK2 (0.44) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL12377306 0.84 ESRRG (0.45) PDK2PDK4HDAC6ESRRGMEN1
SCHEMBL18652173 0.83 SERPINE1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL107199 0.82 CA12 (0.50) SIRT1HSP90AA1HSP90AB1CA12CA1
SCHEMBL18650132 0.81 PDK2 (0.38) SIRT1HSP90AA1HSP90AB1CA12CA1
SCHEMBL18652133 0.81 ESRRG (0.55) CA12CA1CA2CA7CA9
SCHEMBL17119841 0.81 HSP90AA1 (0.53) SIRT1HSP90AA1HSP90AB1CA12CA1
SCHEMBL18652137 0.79 HSD17B1 (0.54) CA12CA1CA2CA9KDM4E
SCHEMBL17424995 0.78 CA12 (0.49) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL18650133 0.78 CES2 (0.49) KDM4EMEN1KMT2A

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 2 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

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 SIRT1 2509/4885HSP90AA1 3047/4885HSP90AB1 4231/4885
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 SIRT1 3848/4885HSP90AA1 3194/4885HSP90AB1 3433/4885

“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.