SCHEMBL16173476

SCHEMBL16173476

COC(=O)c1ccc(O)c(O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
PDK2 Q15119 1/20 0.52
PDK4 Q16654 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
XDH P47989 2/20 0.44
LCK P06239 1/20 0.44
MYC P01106 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6852879 0.83 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1438720 0.82 TDP1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL13827071 0.82 ALDH1A1 (0.52) LMNAGAAKDM4ESMN1; SMN2MAPT
SCHEMBL31473107 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL947039 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL23884542 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL17644155 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL24779506 0.79 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL30291144 0.79 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL17934382 0.79 CA12 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 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-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 CA12 2325/4885CA1 1767/4885CA2 2320/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 CA12 2208/4885CA1 1128/4885CA2 216/4885

“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.