SCHEMBL5755708

SCHEMBL5755708

Cc1ccc(C(O)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CHRNA7 P36544 1/20 0.37
MLYCD O95822 1/20 0.36
CA1 P00915 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ACHE P22303 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1932757 0.82 CHRNA7 (0.39) CA2CHRNA7MLYCDCA1CA5A
SCHEMBL307896 0.82 CHRNA7 (0.39) CA2CHRNA7MLYCDCA1CA5A
SCHEMBL1932415 0.82 CHRNA7 (0.39) CA2CHRNA7MLYCDCA1CA5A
SCHEMBL1272969 0.80 AOC3 (0.37) ESR1ESR2SMN1; SMN2CES2CES1
SCHEMBL7961661 0.78 CA1 (0.35) CA2CA1CA5ACA9ESR1
SCHEMBL2229096 0.77 AOC3 (0.44) TDP1CES2CES1
SCHEMBL28507546 0.76 CHRNA7 (0.38) CA2CHRNA7MLYCDCA1CA5A
SCHEMBL10021110 0.75 PGR (0.42) CHRNA7ACHETDP1ALOX5CES2
SCHEMBL11302427 0.73 HPGD (0.44) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL27968372 0.73 CHRNA7 (0.39) CHRNA7ACHETDP1MEN1KMT2A

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CA2 2945/4885CHRNA7 3724/4885MLYCD 2952/4885

“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.