SCHEMBL5752663

SCHEMBL5752663

CCOC(=O)C(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.60
MAPT P10636 3/20 0.47
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
USP2 O75604 2/20 0.46
CYP3A4 P08684 2/20 0.46
HTR2C P28335 2/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
DRD3 P35462 2/20 0.46
NR1I2 O75469 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL5749460 0.92 MDM2 (0.51) MDM2MAPTHTR2AHTR2BUSP2
SCHEMBL30589450 0.87 HTR2A (0.55) MAPTHTR2AHTR2BUSP2CYP3A4
SCHEMBL6714650 0.87 HTR2A (0.55) MAPTHTR2AHTR2BUSP2CYP3A4
SCHEMBL5751205 0.86 PPARG (0.54) MDM2MAPT
SCHEMBL5751165 0.86 PPARG (0.54) MDM2MAPT
SCHEMBL5750882 0.85 MDM2 (0.48) MDM2MAPTMAOBLMNANR4A2
SCHEMBL5753584 0.84 MDM2 (0.49) MDM2MAPT
SCHEMBL5750829 0.84 MDM2 (0.44) MDM2MAPTALDH1A1NPSR1
SCHEMBL5751324 0.84 MDM2 (0.44) MDM2MAPTALDH1A1
SCHEMBL4436742 0.83 HTR2A (0.51) MAPTHTR2AHTR2BUSP2CYP3A4

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 MDM2 3868/4885MAPT 2688/4885HTR2A 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.