SCHEMBL7369566

SCHEMBL7369566

CCOC(=O)CCCC(C(=O)OC)C(=O)C(C)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL18770547 0.83 CYP1A2 (0.47) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL6885929 0.74 TSHR (0.48) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL11528078 0.73 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL12046288 0.73 L3MBTL1 (0.53) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL7073725 0.73 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL3823229 0.73 CYP1A2 (0.43) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL7370377 0.73 CYP1A2 (0.50) CYP1A2KMT2AL3MBTL1GAAMGAM
SCHEMBL27730932 0.73 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL22587290 0.73 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL28576167 0.73 L3MBTL1 (0.49) CYP1A2KMT2APOLBL3MBTL1GAA

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-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 CYP1A2 2067/4885KMT2A 25/4885POLB 1128/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 CYP1A2 2656/4885KMT2A 86/4885POLB 418/4885

“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.