SCHEMBL1796402

SCHEMBL1796402

CC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RIPK1 Q13546 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SSTR4 P31391 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL1802465 0.91 HDAC1 (0.42) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL1801093 0.87 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1798129 0.86 TAAR1 (0.40) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1801123 0.86 HDAC1 (0.42) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL1797802 0.85 PTGES (0.48) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1798300 0.84 HDAC1 (0.42) ALDH1A1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1801686 0.82 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1802321 0.82 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1802397 0.81 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1801661 0.81 MTNR1A (0.46) HDAC1CYP4F2CYP4A11

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 ALDH1A1 1203/4885SMN1; SMN2 4448/4885HDAC1 611/4885

“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.