SCHEMBL798801

SCHEMBL798801

CCCCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
CA2 P00918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13859652 0.93 LMNA (0.43) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL799044 0.87 ALDH1A1 (0.34) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL13859646 0.85
SCHEMBL13859648 0.79 LMNA (0.30) LMNA
SCHEMBL13859644 0.77 FDPS (0.33) DNM1
SCHEMBL799231 0.77 TSHR (0.31) TSHRDNM1
SCHEMBL798804 0.76
SCHEMBL4321898 0.76 ENPEP (0.32)
SCHEMBL12626702 0.76 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL14279040 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 US disclosed
US-7943567-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-17 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 (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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 ALDH1A1 869/4885TDP1 1109/4885CYP3A4 1573/4885

“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.