SCHEMBL12723239

SCHEMBL12723239

CCOC(=O)C1=CC=C[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35

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
SCHEMBL16349333 0.79 LMNA (0.42) TSHRCA12CA1CA2CA7
SCHEMBL1970857 0.71 TSHR (0.35) TSHRHSD17B10TDP1
SCHEMBL817874 0.70 TSHR (0.37) TSHRCA12CA1CA2CA7
SCHEMBL817737 0.69 ALDH1A1 (0.38) TSHRLMNAKDM4EHPGDHTT
SCHEMBL12723240 0.68 ADORA2B (0.37) TSHRCA12CA1CA2CA7
SCHEMBL818261 0.68 CYP1A2 (0.36) TSHRCA12CA1CA2CA7
SCHEMBL6633583 0.68 TSHR (0.38) TSHRCA12CA1CA2CA7
SCHEMBL21776592 0.68 LMNA (0.43) TSHRCA12CA1CA2CA7
SCHEMBL8782017 0.67 ALDH1A1 (0.32) TSHRCA12CA1CA2CA7
SCHEMBL27314043 0.67 GAA (0.42) TSHRCA12CA1CA2CA7

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-8716333-B2 Process and compounds for the manufacture of oseltamivir and analogs thereof, and new antiviral agents BROCK UNIVERSITY (CA) 2014-05-06 US disclosed
US-8716333-B2 Process and compounds for the manufacture of oseltamivir and analogs thereof, and new antiviral agents BROCK UNIVERSITY (CA) 2014-05-06 US disclosed
US-20120252890-A1 PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS BROCK UNIVERSITY (CA) 2012-10-04 US disclosed
US-20120252890-A1 PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS BROCK UNIVERSITY (CA) 2012-10-04 US disclosed
WO-2011047466-A1 PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS BROCK UNIVERSITY (CA) 2011-04-28 WO disclosed
WO-2009137916-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OSELTAMIVIR AND ANALOGS THEREOF BROCK UNIVERSITY (CA) 2009-11-19 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-20120252890-A1 PROCESS AND COMPOUNDS FOR THE MANUFACTURE OF OSELTAMIVIR AND ANALOGS THEREOF, AND NEW ANTIVIRAL AGENTS NUDT1, ITPA, HAAO TSHR 1549/4885CA12 2571/4885CA1 2733/4885

“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.