SCHEMBL6542513

SCHEMBL6542513

[CH2]C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SLC13A5 Q86YT5 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MME P08473 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
AR P10275 1/20 0.44
S1PR1 P21453 1/20 0.41
EPHX2 P34913 1/20 0.40
KMO O15229 2/20 0.40
BACE1 P56817 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CNR2 P34972 1/20 0.40
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
SCN9A Q15858 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL3135733 0.86 MAOB (0.52) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL566127 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL29869199 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL7466543 0.83 KIF11 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL3924323 0.83 SLC6A7 (0.50) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL31757824 0.83 SLC6A7 (0.50) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL22304414 0.81 AR (0.58) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL5944298 0.80 HDAC6 (0.56) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL26057001 0.80 SLC6A7 (0.48) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL24297565 0.79 AR (0.56) FFAR4SLC13A5PPARGPPARAALDH1A1

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-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 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-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B SLC6A7 670/4885FFAR4 3162/4885SLC13A5 997/4885

“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.