SCHEMBL1369428

SCHEMBL1369428

COc1ccc2cc(C=O)ccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
TSHR P16473 1/20 0.56
AOX1 Q06278 1/20 0.51
FDPS P14324 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
TTR P02766 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NCEH1 Q6PIU2 1/20 0.41

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
SCHEMBL12143567 0.82 ALDH1A1 (0.58) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL4670405 0.81 CYP19A1 (0.46) ALDH1A1CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4670409 0.81 CYP19A1 (0.46) ALDH1A1CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL1368238 0.81 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL5752433 0.81 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSCYP19A1
SCHEMBL3019686 0.78 NCEH1 (0.58) ALDH1A1CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL30203680 0.77 MAPT (0.65) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL31362057 0.77 ALDH1A1 (0.55) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL11810667 0.77 ALDH1A1 (0.55) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL31553099 0.77 CYP19A1 (0.51) ALDH1A1CYP19A1CYP11B1CYP11B2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
EP-2349351-A2 IMAGING AND RADIOTHERAPY METHODS GE Healthcare Limited (GB) 2011-08-03 EP disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 ALDH1A1 3/4885TSHR 3164/4885AOX1 26/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 ALDH1A1 3/4885TSHR 3164/4885AOX1 26/4885
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 ALDH1A1 658/4885TSHR 171/4885AOX1 755/4885

“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.