SCHEMBL6540918

SCHEMBL6540918

CC(C)(C)OC(=O)N(CCc1ccc(I)cc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC6 Q9UBN7 2/20 0.49
RCE1 Q9Y256 1/20 0.46
LPAR1 Q92633 4/20 0.45
LPAR5 Q9H1C0 4/20 0.45
AKT1 P31749 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
NPC1 O15118 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
SCHEMBL9823156 0.92 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3695642 0.88 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1798901 0.88 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL580233 0.88 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13708399 0.87 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13617803 0.87 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2595460 0.87 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL27540555 0.87 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2HDAC6
Water SCHEMBL28757509 0.86 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1797681 0.86 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HDAC1 1603/4885HDAC3 2501/4885HDAC2 968/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 HDAC1 3164/4885HDAC3 3039/4885HDAC2 2822/4885

“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.