SCHEMBL1977795

SCHEMBL1977795

CC1(C)COc2ccc(Br)cc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.43
APP P05067 9/20 0.42
CYP19A1 P11511 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
BCHE P06276 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL3456628 0.87 PBRM1 (0.40) PBRM1CYP19A1CA1CA2CA4
SCHEMBL29640600 0.87 PBRM1 (0.40) PBRM1CYP19A1CA1CA2CA4
SCHEMBL27953581 0.83 MAPT (0.50) CA1CA2CA7CA9MALT1
SCHEMBL1981866 0.80 APP (0.42) PBRM1APPCYP19A1CA1CA2
SCHEMBL3183702 0.80 FABP6 (0.46) CYP19A1CA1CA2CA7CA9
SCHEMBL15539153 0.79 APP (0.41) PBRM1APPCYP19A1CA1CA2
SCHEMBL7034343 0.78 PBRM1 (0.48) PBRM1APPCYP19A1AR
SCHEMBL15550456 0.78 APP (0.40) PBRM1APPCYP19A1CA1CA2
SCHEMBL15537318 0.76 APP (0.40) PBRM1APPCYP19A1CA1CA2
SCHEMBL29448029 0.75 PKM (0.47) CYP19A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650336-B2 Mono-fluoro beta-secretase inhibitors ASTRAZENECA AB (SE) 2017-05-16 US disclosed
EP-2780321-B1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2015-12-30 EP disclosed
US-20140288091-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2014-09-25 US disclosed
EP-2780321-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS Astrazeneca AB (SE) 2014-09-24 EP disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 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-20140288091-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PBRM1 1404/4885APP 4/4885CYP19A1 2615/4885

“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.