SCHEMBL1886247

SCHEMBL1886247

CCOC(=O)/C=C/c1cccc(/C=C/C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PTGS2 P35354 2/20 0.46
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 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
SCHEMBL1886248 1.00 HCAR2 (0.51) HCAR2CA12CA1CA2CA7
Trifluoroacetic Acid SCHEMBL1580121 0.92 HCAR2 (0.44) HCAR2CA12CA1CA2CA7
Trifluoroacetic Acid SCHEMBL1580120 0.92 HCAR2 (0.44) HCAR2CA12CA1CA2CA7
SCHEMBL2302954 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2302950 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1580130 0.84 LMNA (0.46) CA12CA1CA2CA7CA9
SCHEMBL25110900 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1511286 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL30805888 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1511284 0.84 CA12 (0.48) CA12CA1CA2CA7CA9

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
EP-2310364-B1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC SRL (IT) 2013-01-02 EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
EP-2133334-A1 Heterocyclic derivatives as HDAC inhibitors DAC S.r.l. (IT) 2009-12-16 EP 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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 HCAR2 503/4885CA12 1983/4885CA1 1074/4885

“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.