SCHEMBL18652191

SCHEMBL18652191

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
XDH P47989 1/20 0.58
PTPN1 P18031 2/20 0.57
SERPINE1 P05121 1/20 0.56
ESR1 P03372 3/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B2 P37059 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 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
SCHEMBL18650113 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3669896 0.83 MAPK1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL18652189 0.82 SERPINE1 (0.80) XDHSERPINE1ESR1KDM4EGAA
SCHEMBL18650105 0.81 SERPINE1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL39791 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL29625511 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9295363 0.80 MAPK1 (0.53) SERPINE1KDM4E
SCHEMBL18652233 0.80 MAPK1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL13286835 0.80 CA12 (0.72) CA12CA1CA2CA7CA9
Water SCHEMBL16678551 0.79 CA12 (0.96) 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 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 CA12 535/4885CA1 1063/4885CA2 671/4885
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 CA12 150/4885CA1 625/4885CA2 403/4885

“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.