SCHEMBL4516249

SCHEMBL4516249

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.41
SRD5A2 P31213 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ANPEP P15144 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL3255039 0.82 KMT2A (0.64) ALDH1A1L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL3255043 0.82 KMT2A (0.64) ALDH1A1L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL13848573 0.82 KMT2A (0.64) ALDH1A1L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL5009753 0.81 KMT2A (0.49) CA1CA2ALDH1A1L3MBTL1GAA
SCHEMBL3578941 0.81 ESR1 (0.54) CA1CA2ALDH1A1GAAKMT2A
SCHEMBL13014942 0.79 HPGD (0.56) CA1CA2ALDH1A1L3MBTL1KMT2A
SCHEMBL4511382 0.79 CA1 (0.48) CA1CA2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1154849 0.79 L3MBTL1 (0.49) ALDH1A1L3MBTL1KMT2A
SCHEMBL17309222 0.79 RAB9A (0.49) CA1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL2390293 0.79 SLC6A3 (0.46) ALDH1A1L3MBTL1GAAKMT2ASMN1; SMN2

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-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 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

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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 CA1 963/4885CA2 1202/4885ALDH1A1 621/4885

“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.