SCHEMBL5730640

SCHEMBL5730640

Fc1cc(-c2scc3c2OCCO3)c(F)cc1-c1scc2c1OCCO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.39
CHEK2 O96017 3/20 0.39
BAZ2B Q9UIF8 1/20 0.38
HTT P42858 3/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
ACLY P53396 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL880222 0.80 BAZ2B (0.47) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL31321778 0.79 BAZ2B (0.41) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL14207865 0.77 CHEK1 (0.45) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL14207871 0.76 CHEK1 (0.44) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL31321780 0.75 BAZ2B (0.41) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL31321783 0.75 BAZ2B (0.41) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL31321782 0.74 BAZ2B (0.44) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL31321785 0.74 BAZ2B (0.44) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL2373267 0.74 CHEK1 (0.38) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL10313033 0.73 BAZ2B (0.42) CHEK1CHEK2BAZ2BHTTTSHR

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
EP-1551847-B1 3,4-ALKYLENEDIOXYTHIOPHENE COMPOUNDS AND POLYMERS THEREOF AGFA GEVAERT (BE) 2006-07-05 EP disclosed
US-7022811-B2 3,4-Alkylenedioxythiophene compounds and polymers thereof AGFA-GEVAERT (BE) 2006-04-04 US disclosed
US-20040072987-A1 3,4-Alkylenedioxythiophene compounds and polymers thereof AGFA-GEVAERT (BE) 2004-04-15 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-20040072987-A1 3,4-Alkylenedioxythiophene compounds and polymers thereof CCNT1, TTI1, SULT1E1 CHEK1 1172/4885CHEK2 1756/4885BAZ2B 4512/4885

“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.