SCHEMBL13612667

SCHEMBL13612667

C=Cc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA7 P36544 3/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
PPARA Q07869 7/20 0.39
AHR P35869 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAOB P27338 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3480749 0.98 CHRNB4 (0.43) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL14369391 0.92 CHRNA7 (0.45) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL12539840 0.91 CHRNA7 (0.44) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7661281 0.88 CHRNB2 (0.42) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL896329 0.84 ALDH1A1 (0.48) PPARAALDH1A1MAOBLMNAMAPT
SCHEMBL13626326 0.82 CHRNB2 (0.50) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL2020660 0.79 ALDH1A1 (0.47) PPARAALDH1A1LMNAMAPTHPGD
SCHEMBL5489747 0.78 MAOB (0.35) PPARAMAOBMAPT
SCHEMBL18028239 0.78 PSMB1 (0.41) PPARAMAPT
SCHEMBL5959986 0.78 KCNA3 (0.50) PPARAALDH1A1

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-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 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-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 CHRNB4 589/4885CHRNA3 1049/4885CHRNA7 705/4885

“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.