SCHEMBL2029296

SCHEMBL2029296

COC(=O)c1cc(CO)cc(CF)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.46
CYP4F2 P78329 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC7A5 Q01650 1/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2650418 0.91 CA12 (0.54) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL2033120 0.89 CA12 (0.52) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL16729319 0.88 CA12 (0.44) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL762861 0.87 CA12 (0.54) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL16951249 0.85 PRKCA (0.49) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL2031780 0.84 LOXL2 (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1545095 0.82 CYP4A11 (0.51) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL29918305 0.82 CYP4A11 (0.51) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL26707684 0.82 CA12 (0.46) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL2161045 0.81 SLC7A5 (0.62) CYP4A11CYP4F2CA12CA1CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511260-B1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT UNIV GIFU (JP) 2015-07-29 EP disclosed
CN-102666480-B Aromatic compound, modified vector for synthesis of oligonucleotide derivative, and oligonucleotide construct UNIV GIFU 2014-04-09 CN disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
EP-2511260-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT Gifu University (JP) 2012-10-17 EP disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
CN-102666480-A Aromatic compound, modified vector for synthesis of oligonucleotide derivative, and oligonucleotide construct UNIV GIFU 2012-09-12 CN disclosed
WO-2011071078-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT 国立大学法人岐阜大学 (JP) 2011-06-16 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-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT NSUN2, SLCO2A1, ABCB7 CYP4A11 2596/4885CYP4F2 2091/4885CA12 3789/4885

“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.