SCHEMBL1802804

SCHEMBL1802804

COCCC(C)CN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PTGES O14684 3/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
GLS O94925 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL1802424 0.91 HDAC1 (0.38) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1799273 0.88 BACE1 (0.40) BACE1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1800473 0.86 GRIN2D (0.47) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1800151 0.85 CYP4F2 (0.38) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL4761208 0.85 CYP4F2 (0.38) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1802573 0.85 CYP4F2 (0.40) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1800114 0.85 CYP4F2 (0.42) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL4656457 0.82 HDAC1 (0.42) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1799531 0.79 CYP4F2 (0.43) BACE1CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL1802570 0.78 CYP4F2 (0.40) BACE1CYP4F2CYP4A11HDAC1PTGES

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 BACE1 377/4885CYP4F2 1476/4885CYP4A11 459/4885

“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.