SCHEMBL22083709

SCHEMBL22083709

O=Cc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.43
CDK1 P06493 1/20 0.39
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2149402 0.93 ERN1 (0.46) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL12072122 0.86 ERN1 (0.48) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL248602 0.79 ERN1 (0.52) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL3648582 0.77 ERN1 (0.46) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL22032562 0.76 ERN1 (0.37) ERN1
SCHEMBL22032589 0.76 ERN1 (0.42) ERN1
SCHEMBL14849044 0.76 ERN1 (0.49) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL7157861 0.76 ESR1 (0.52)
SCHEMBL22032566 0.75 ERN1 (0.49) ERN1
SCHEMBL13257343 0.75 ERN1 (0.55) ERN1CDK1TRIM24TRIM33MAPT

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-20220033424-A1 FLUOROUS METAL CHELATES COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-02-03 US disclosed
WO-2020118307-A1 FLUOROUS METAL CHELATES COMPOSITIONS THE REGENTS OF THE UNIVEFISITY OF CALIFORNIA (US) 2020-06-11 WO 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-20220033424-A1 FLUOROUS METAL CHELATES COMPOSITIONS KAT6A, SLC6A12, SLC6A6 ERN1 3570/4885CDK1 4498/4885TRIM24 2998/4885

“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.