SCHEMBL4309604

SCHEMBL4309604

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NOTUM Q6P988 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL4505223 0.85 TSHR (0.53) CA1CA2CA12CA7CA9
SCHEMBL9129171 0.83 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL548614 0.82 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL4519293 0.82 MAPT (0.49) CA1CA2CA12CA7CA9
SCHEMBL2438641 0.81 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL6698952 0.81 ESR1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL677961 0.80 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL592406 0.80 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL2890249 0.80 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL4309547 0.80 CA1 (0.50) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 CA1 963/4885CA2 1202/4885CA12 2728/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 CA1 229/4885CA2 614/4885CA12 1264/4885

“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.