SCHEMBL989344

SCHEMBL989344

O=C1c2ccccc2OCCC1Br

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.47
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 3/20 0.44
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40

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
SCHEMBL2381366 0.81 CYP19A1 (0.59) CYP19A1PKMTSHRMAOB
SCHEMBL20165977 0.81 CYP19A1 (0.59) CYP19A1PKMTSHRMAOB
SCHEMBL989401 0.79 LMNA (0.43) CYP19A1MAOB
SCHEMBL989276 0.78 CYP19A1 (0.51) CYP19A1
SCHEMBL7997248 0.77 CYP19A1 (0.50) CYP19A1MAOB
SCHEMBL1484854 0.77 FABP6 (0.51) CYP19A1MAOB
SCHEMBL12852988 0.76 CYP19A1 (0.71) CYP19A1
SCHEMBL7128481 0.75 CYP19A1 (0.44) CYP19A1PKMTSHRMAOBITGB2
SCHEMBL15603238 0.75 CYP19A1 (0.47) CYP19A1PKMTSHRMAOB
SCHEMBL12698725 0.74 CYP19A1 (0.52) CYP19A1MAOB

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 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 (3 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-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD CYP19A1 70/4885PKM 387/4885TSHR 4488/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD CYP19A1 70/4885PKM 387/4885TSHR 4488/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CYP19A1 954/4885PKM 2290/4885TSHR 155/4885

“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.