SCHEMBL5597843

SCHEMBL5597843

CCCC[n+]1ccn(C)c1.O=S(=O)([O-])C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL357696 0.94 ALDH1A1 (0.31) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL357534 0.89 MAPT (0.32) ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2872725 0.88 MAPT (0.32) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL357139 0.84 ALDH1A1 (0.34) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1737364 0.84 MAPT (0.32) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL358055 0.83 MAPT (0.34) ALDH1A1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL534993 0.82 MAPT (0.33) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2936132 0.82
SCHEMBL1172288 0.81 KDM4E (0.31) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29110243 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070100184-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 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-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR ALDH1A1 543/4885MAPT 798/4885HTT 900/4885

“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.