SCHEMBL750689

SCHEMBL750689

F[C]1Oc2cccc(F)c2O1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.35
ACHE P22303 1/20 0.33
CA2 P00918 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL28928430 0.87
SCHEMBL28994157 0.85
SCHEMBL7105035 0.81 AHR (0.56) AHRACHE
SCHEMBL2463391 0.74 AHR (0.59) AHR
SCHEMBL8446929 0.73 AHR (0.43) AHR
SCHEMBL15763943 0.73 MAOB (0.35) CA2
SCHEMBL3105763 0.70
SCHEMBL3106117 0.67 AHR (0.33) AHR
SCHEMBL1224045 0.67 ABCG2 (0.52) CA2
SCHEMBL18936189 0.67 ACHE (0.33) ACHECA2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US claimed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO claimed
EP-0859772-B1 HERBICIDAL SUBSTITUTED PYRIDINE COMPOUNDS BASF AG (DE) 2006-04-19 EP claimed
US-6683027-B2 SYNERGISTICALLY EFFECTIVE AMOUNT OF SUBSTITUTED 2-PHENYL PYRIMIDINE COMPOUNDS WITH OTHER HERBICIDAL COMPOUND, WHICH IS ACTIVE AGAINST BROAD-LEAVED WEEDS AND/OR ANNUAL GRASSES BASF AKTIENEGESELLSCHAFT (DE) 2004-01-27 US claimed
EP-1101764-B1 Herbicidal 2-aryloxy-4-methyl-6-pyrazol-1-yl-pyridines BASF AG (DE) 2003-10-22 EP claimed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP claimed
EP-0902026-A1 Herbicidal 2-azinyl-6-aryloxypyr (mi) dines American Cyanamid Company (US) 1999-03-17 EP claimed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 EP claimed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US claimed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US claimed
EP-0859772-A1 HERBICIDAL SUBSTITUTED PYRIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1998-08-26 EP claimed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP claimed
WO-1998004550-A1 HERBICIDAL SUBSTITUTED PYRIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1998-02-05 WO claimed
EP-0820996-A1 Herbicidal cyanopyridines American Cyanamid Company (US) 1998-01-28 EP claimed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed

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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL AHR 1995/4885ACHE 1892/4885CA2 4580/4885

“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.