SCHEMBL4311490

SCHEMBL4311490

FC(F)(F)C(F)(CCCOCC1CO1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL24388692 0.85 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10036677 0.85 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17763407 0.81 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19615496 0.77 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13974192 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17549553 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL100304 0.77 TSHR (0.90) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17549551 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24547426 0.77 TSHR (0.90) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17549552 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
EP-1907343-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2008-04-09 EP disclosed
WO-2007016359-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2007-02-08 WO disclosed
WO-2007016359-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2007-02-08 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-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers RFC3, RFC2, RFC4 TSHR 2661/4885SMN1; SMN2 3614/4885ALDH1A1 4356/4885

“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.