SCHEMBL1801686

SCHEMBL1801686

CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1cccc(-c2cccc(CCO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
PTGES O14684 3/20 0.48
AOC3 Q16853 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
BACE1 P56817 3/20 0.42
ABHD6 Q9BV23 1/20 0.41
CTSK P43235 1/20 0.40
AKT1 P31749 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL1802397 0.84 HDAC1 (0.43) HDAC3HDAC1HDAC2NCOR2CTSB
SCHEMBL1800818 0.83 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2PTGES
SCHEMBL1801093 0.83 HDAC1 (0.43) HDAC3HDAC1HDAC2NCOR2PTGES
SCHEMBL1801123 0.82 HDAC1 (0.42) HDAC3HDAC1HDAC2NCOR2CTSB
SCHEMBL1796402 0.82 ALDH1A1 (0.44) HDAC3HDAC1HDAC2NCOR2CTSB
SCHEMBL1801661 0.82 MTNR1A (0.46) HDAC1PTGESAOC3CYP4F2CYP4A11
SCHEMBL1797802 0.81 PTGES (0.48) HDAC3HDAC1HDAC2NCOR2PTGES
SCHEMBL1798901 0.81 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2CTSB
SCHEMBL1801846 0.81 HDAC1 (0.42) HDAC3HDAC1HDAC2NCOR2AOC3
SCHEMBL1801310 0.81 L3MBTL1 (0.42) HDAC3HDAC1HDAC2NCOR2

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-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
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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 (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 HDAC3 562/4885HDAC1 611/4885HDAC2 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.