SCHEMBL988905

SCHEMBL988905

O=CC1=C(Cl)c2ccccc2OCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAOB P27338 3/20 0.36
NPY5R Q15761 1/20 0.35
PIK3CA P42336 3/20 0.34
PIK3CB P42338 1/20 0.34
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KEAP1 Q14145 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
SCHEMBL9376747 0.83 MAOB (0.44) MEN1KMT2APKMTSHRMAOB
SCHEMBL7026409 0.80 MEN1 (0.42) MEN1KMT2APKMTSHRITGB2
SCHEMBL988678 0.78 LMNA (0.39) MAOBPIK3CAPIK3CBLMNAHTT
SCHEMBL10088633 0.78 MAOB (0.56) MAOBESR1ESR2
SCHEMBL988496 0.78 LMNA (0.39) MAOBPIK3CAPIK3CBLMNAHTT
SCHEMBL990643 0.77 MEN1 (0.42) MEN1KMT2APKMTSHRITGB2
SCHEMBL2325236 0.74 MAOB (0.65) MAOBSMN1; SMN2
SCHEMBL29952458 0.72 ESR1 (0.54) MAOBSMN1; SMN2ESR1
SCHEMBL2063760 0.72 ESR1 (0.54) MAOBSMN1; SMN2ESR1
SCHEMBL12797026 0.69 ESR1 (0.56) TSHRMAOBLMNASMN1; SMN2ESR1

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 11 patents. 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-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
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP disclosed
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN - LA ROCHE AG (CH) 2013-05-16 US disclosed
US-8399690-B2 4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene compounds GENENTECH, INC. (US) 2013-03-19 US disclosed
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MEN1 2303/4885KMT2A 4248/4885PKM 387/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MEN1 2303/4885KMT2A 4248/4885PKM 387/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MEN1 2303/4885KMT2A 4248/4885PKM 387/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MEN1 2562/4885KMT2A 4226/4885PKM 287/4885

“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.