SCHEMBL798900

SCHEMBL798900

CC(C)(F)CCCCCCSC#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 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
SCHEMBL799369 0.91 ALDH3A1 (0.34) ALDH3A1
SCHEMBL799260 0.82
SCHEMBL774959 0.79 ALDH3A1 (0.33) ALDH3A1
SCHEMBL7135015 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL7110766 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL6579911 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL8762182 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL7140484 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL6577600 0.76 ALDH1A1 (0.47) ALDH3A1
SCHEMBL20738372 0.74 HTR1A (0.34) ALDH3A1

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 2 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

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 ALDH3A1 287/4885

“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.