SCHEMBL4188713

SCHEMBL4188713

CCC(Oc1ccc(O)c(O)c1)Oc1ccc(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.44
TRPA1 O75762 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ADRB1 P08588 1/20 0.41
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
IGF1R P08069 2/20 0.40
SHBG P04278 1/20 0.40
ESR1 P03372 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11432548 0.82 ADRB2 (0.46) ADRB2TRPA1CA12CA1CA2
SCHEMBL27944859 0.81 LTA4H (0.47) ADRB1ACHEALOX15MAPK1TDP1
SCHEMBL4192132 0.77 ADRB2 (0.47) ADRB2TRPA1CA12CA1CA2
SCHEMBL1052924 0.77 ALDH1A1 (0.52) ADRB2CA12CA1CA2CA7
SCHEMBL15100369 0.77 SHBG (0.42) ACHESHBGHPGDLMNAPPARG
SCHEMBL15100322 0.77 SHBG (0.42) ACHESHBGHPGDLMNAPPARG
SCHEMBL14154428 0.74 MAPT (0.47) ALOX15KDM4EMAPK1TDP1SMN1; SMN2
SCHEMBL15100434 0.73 LTA4H (0.44) ALOX15TDP1ESR1MEN1CYP3A4
SCHEMBL15102155 0.73 LTA4H (0.44) ALOX15TDP1ESR1MEN1CYP3A4
SCHEMBL15100336 0.73 LTA4H (0.44) ALOX15TDP1ESR1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751097-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES Proteotech, Inc. (US) 2007-02-14 EP claimed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 WO claimed
EP-1511710-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER S DISEASE, TYPE 2 DIABETES, AND PARKINSON S DISEASE Proteotech, Inc. (US) 2005-03-09 EP claimed
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO claimed
US-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis SNOW ALAN D 2009-08-06 US disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed
EP-1751097-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES Proteotech, Inc. (US) 2007-02-14 EP disclosed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 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-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA ADRB2 62/4885TRPA1 4561/4885CA12 4378/4885

“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.