SCHEMBL9945941

SCHEMBL9945941

CB(O)c1cc(F)c(F)cc1OC(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL29957693 0.88 TLR8 (0.33) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL9893864 0.88 TLR8 (0.33) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL11916150 0.74 KCNQ3 (0.34) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL9945960 0.73 ALDH1A1 (0.42)
SCHEMBL9945966 0.71 IRAK4 (0.46) TLR8IRAK4
SCHEMBL29956725 0.69 ENPP2 (0.39) IRAK4
SCHEMBL2462591 0.69 ENPP2 (0.39) IRAK4
SCHEMBL14453810 0.68 TLR8 (0.36) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL20149145 0.68 TLR8 (0.36) TLR8ALOX5APFEN1IRAK4
SCHEMBL264985 0.68 ACLY (0.39) IRAK4KCNQ3KCNQ2

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TLR8 2162/4885ALOX5AP 1550/4885FEN1 4591/4885

“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.