SCHEMBL1881888

SCHEMBL1881888

CN1CCN(C(=O)/C=C/c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.64
▸ POLB P06746 1/20 0.63
▸ ALDH1A1 P00352 6/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HPGD P15428 3/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 3/20 0.49
▸ GPR183 P32249 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL13845314 0.81 CA12 (0.53) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL4055672 0.81 CA12 (0.53) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL4055668 0.81 CA12 (0.53) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL1580033 0.80 POLB (0.79) GAAPOLBALDH1A1L3MBTL1MAPT
SCHEMBL1580034 0.80 POLB (0.79) GAAPOLBALDH1A1L3MBTL1MAPT
SCHEMBL1580935 0.79 GAA (0.73) GAAPOLBALDH1A1MAPTKDM4E
SCHEMBL14610112 0.78 POLB (1.00) GAAPOLBALDH1A1L3MBTL1MAPT
SCHEMBL16599097 0.77 GPR183 (0.62) GPR183
SCHEMBL16598923 0.77 GPR183 (0.62) GPR183
SCHEMBL1579608 0.77 GAA (0.71) GAAPOLBALDH1A1L3MBTL1MAPT

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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 — — 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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 GAA 3622/4885POLB 650/4885ALDH1A1 1641/4885

“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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