SCHEMBL3779536

SCHEMBL3779536

OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 3/20 0.33
APP P05067 2/20 0.33
MAOB P27338 1/20 0.33
PPARG P37231 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
SCHEMBL3424352 1.00 HRH3 (0.42) HRH3LTA4HMEN1KMT2APPARA
SCHEMBL27096233 0.98 HRH3 (0.43) HRH3LTA4HMEN1KMT2APPARA
SCHEMBL12101371 0.87 HRH3 (0.46) HRH3LTA4HMEN1KMT2APPARA
SCHEMBL1751270 0.86 APP (0.34) APPMAOB
SCHEMBL3480730 0.85 CNR1 (0.31) MAOB
SCHEMBL5489747 0.81 MAOB (0.35) PPARAMAOB
SCHEMBL5959986 0.81 KCNA3 (0.50) LTA4HPPARA
SCHEMBL18028239 0.81 PSMB1 (0.41) HRH3PPARA
SCHEMBL9141866 0.79 NR5A1 (0.50) LTA4HAPP
SCHEMBL19460833 0.78 S1PR1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-11-09 US disclosed
US-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-24 US disclosed
US-10758895-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 US disclosed
US-20170297008-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCACATION (US) 2017-10-19 US disclosed
US-20150225339-A1 FLUORINATED POLYMERIZABLE COMPOUND BASF SE (DE) 2015-08-13 US disclosed
US-20100324205-A1 FLUID, FLUORINE-CONTAINING AND SINGLE-COMPONENT COMPOSITION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-12-23 US disclosed
US-20090240004-A1 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-09-24 US disclosed
US-20090198000-A1 Liquid fluorine-containing and two-component compositions for the surface treatment of mineral and non-mineral substrates EVONIK DEGUSSA GMBH (DE) 2009-08-06 US disclosed
EP-2085442-A1 Compounds containing fluoride with improved surface characteristics Evonik Degussa GmbH (DE) 2009-08-05 EP 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 (5 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-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS RNGTT, AOC2, CTRC HRH3 3427/4885LTA4H 2475/4885MEN1 3749/4885
US-10758895-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions RNGTT, AOC2, CTRC HRH3 3427/4885LTA4H 2475/4885MEN1 3749/4885
US-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions RNGTT, AOC2, CTRC HRH3 3427/4885LTA4H 2475/4885MEN1 3749/4885
US-20150225339-A1 FLUORINATED POLYMERIZABLE COMPOUND FRK, AFF2, AFF1 HRH3 126/4885LTA4H 3751/4885MEN1 1984/4885
US-20170297008-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS RNGTT, AOC2, CTRC HRH3 3427/4885LTA4H 2475/4885MEN1 3749/4885

“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.