SCHEMBL1801093

SCHEMBL1801093

CC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
GLS O94925 1/20 0.38
BCHE P06276 1/20 0.37
BACE1 P56817 3/20 0.37
PTGES O14684 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TSHR P16473 1/20 0.35
BID P55957 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL1800444 0.91 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1801123 0.87 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1796402 0.87 ALDH1A1 (0.44) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1797802 0.86 PTGES (0.48) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1798300 0.84 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1801686 0.83 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1802321 0.83 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1802397 0.82 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1801661 0.82 MTNR1A (0.46) HDAC1CYP4F2CYP4A11PTGES
SCHEMBL1800818 0.81 HDAC3 (0.45) HDAC1HDAC3HDAC2NCOR2CYP4F2

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 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.