SCHEMBL1801153

SCHEMBL1801153

CC(C)(C)OC(=O)N(Cc1ccc(CCO)cc1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
BACE1 P56817 5/20 0.46
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
AKT1 P31749 2/20 0.40
PPARA Q07869 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL1799804 0.91 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1798901 0.84 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL7606227 0.82 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1799805 0.82 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2CTSL
SCHEMBL14103842 0.82 SSTR4 (0.44) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL24323598 0.80 BACE1 (0.62) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL29059512 0.80 BACE1 (0.62) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1799264 0.79 BACE1 (0.49) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1799801 0.79 HDAC3 (0.40) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL2882035 0.78 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HDAC1 611/4885HDAC3 562/4885HDAC2 127/4885

“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.