SCHEMBL5710187

SCHEMBL5710187

COc1ccc(BOc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 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
SCHEMBL2618508 0.82 LTA4H (0.41) CA1CA2CA7CA9CA12
SCHEMBL12769089 0.78 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL13913230 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL21889 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL5710196 0.75 NFE2L2 (0.35) CA1CA2CA7CA9ACHE
1,4-Dimethoxybenzene SCHEMBL21802643 0.74 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.74 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL6346471 0.74 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL3261919 0.72 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL819814 0.72 CA1 (0.58) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339725-B1 DNA METHYL TRANSFERASE INHIBITORS PENN STATE RES FOUND (US) 2006-11-22 EP disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
EP-1339725-A2 DNA METHYL TRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2003-09-03 EP disclosed
WO-2002044184-A2 DNA METHYL TRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2002-06-06 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-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT CA1 3630/4885CA2 3114/4885CA7 3131/4885

“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.