SCHEMBL19733686

SCHEMBL19733686

CC(C)(C)OC(=O)NCCCOc1cc(O)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
NQO2 P16083 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDK2 Q15119 1/20 0.41
PTPN1 P18031 3/20 0.41
MIF P14174 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL19733682 0.95 CA12 (0.53) CA12CA1CA2CA9NQO2
SCHEMBL4278756 0.88 CA12 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL3156719 0.87 CA12 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL3161136 0.87 CA12 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL3155955 0.87 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL3195599 0.86 CA12 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL3156889 0.85 CA12 (0.48) CA12CA1CA2CA9MEN1
SCHEMBL3194156 0.84 CA12 (0.48) CA12CA1CA2CA9MEN1
SCHEMBL17958060 0.84 CA12 (0.50) CA12CA1CA2CA9PDK2
SCHEMBL3901784 0.84 CA12 (0.53) CA12CA1CA2CA9MEN1

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-10774262-B2 Three-dimensional structures of mesogenic ligand-functionalized nanoparticles and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-15 US disclosed
US-20170362504-A1 Three-dimensional Structures of Mesogenic Ligand-functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 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-10774262-B2 Three-dimensional structures of mesogenic ligand-functionalized nanoparticles and methods of making and using the same EPHA3, NECTIN4, EPHA2 CA12 928/4885CA1 1348/4885CA2 3193/4885
US-20170362504-A1 Three-dimensional Structures of Mesogenic Ligand-functionalized Nanoparticles and Methods of Making and Using the Same EPHA3, NECTIN4, EPHA2 CA12 928/4885CA1 1348/4885CA2 3193/4885

“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.