SCHEMBL1801655

SCHEMBL1801655

CC(C)OCCCN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BACE1 P56817 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGES O14684 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
GLS O94925 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 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
SCHEMBL1803275 0.88 L3MBTL1 (0.39) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1802397 0.85 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1802651 0.85 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL4656457 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1800114 0.83 CYP4F2 (0.42) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1800473 0.82 GRIN2D (0.47) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1798511 0.82 MLNR (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1802424 0.81 HDAC1 (0.38) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1802573 0.79 CYP4F2 (0.40) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1800492 0.78 RAF1 (0.45) HDAC1SSTR4KDM4EGLSALDH1A1

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.