SCHEMBL4643847

SCHEMBL4643847

COC(=O)c1ccc(OC(=O)CCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
MAPT P10636 7/20 0.58
POLB P06746 2/20 0.55
MGLL Q99685 1/20 0.54
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.51
ACR P10323 2/20 0.50
HGFAC Q04756 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PRSS1 P07477 1/20 0.49

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
SCHEMBL4644607 0.86 MAPT (0.58) CA1CA2MAPTPOLBMGLL
SCHEMBL10600742 0.85 MAPT (0.71) CA1CA2MAPTPOLBMGLL
SCHEMBL27511903 0.84 KMT2A (0.68) CA1CA2MAPTPOLBMGLL
SCHEMBL1931290 0.84 CA1 (0.60) CA1CA2MAPTPOLBMGLL
SCHEMBL4641666 0.83 MAPT (0.56) CA1CA2MAPTPOLBMGLL
SCHEMBL6691696 0.83 ESR1 (0.56) CA1CA2KMT2AALDH1A1LMNA
SCHEMBL4095285 0.82 KMT2A (0.52) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL4645812 0.82 MAPT (0.54) CA1CA2MAPTPOLBMGLL
SCHEMBL4644246 0.82 CA1 (0.58) CA1CA2MAPTPOLBMGLL
SCHEMBL5973256 0.82 CA1 (0.58) CA1CA2MAPTPOLBMGLL

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
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-09 US disclosed
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-09 US disclosed
US-9499479-B2 Molecules that selectively inhibit histone deacetylase 6 relative to histone deacetylase 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-11-22 US disclosed
US-9499479-B2 Molecules that selectively inhibit histone deacetylase 6 relative to histone deacetylase 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-11-22 US disclosed
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 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 (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-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE HDAC7, HDAC3, HDAC8 CA1 993/4885CA2 1749/4885MAPT 4539/4885
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 HDAC7, HDAC3, HDAC1 CA1 1097/4885CA2 1885/4885MAPT 4492/4885

“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.