SCHEMBL14548505

SCHEMBL14548505

CC(C=O)Oc1cccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ MCL1 Q07820 3/20 0.39
▸ BCL2 P10415 2/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ RORC P51449 1/20 0.37
▸ ADA P00813 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL5664735 0.88 PTGDR2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5659236 0.85 PTGDR2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14548501 0.84 BCL2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5659260 0.81 PPARG (0.51) MCL1BCL2
SCHEMBL5661653 0.79 PPARG (0.55) MCL1BCL2
SCHEMBL14526671 0.77 LMNA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14548336 0.76 MCL1 (0.38) MCL1BCL2RORCMTNR1AMTNR1B
SCHEMBL14548301 0.74 BCL2 (0.39) MCL1BCL2RORCMTNR1AMTNR1B
SCHEMBL14548338 0.74 BCL2 (0.39) MCL1BCL2RORCMTNR1AMTNR1B
SCHEMBL5663660 0.73 MTNR1A (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — US 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 HDAC3 197/4885HDAC4 201/4885HDAC1 479/4885

“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.

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