SCHEMBL5752370

SCHEMBL5752370

CC(C)Oc1cccc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMB5 P28074 2/20 0.36
CNR2 P34972 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MDM2 Q00987 1/20 0.35
S1PR3 Q99500 1/20 0.35
DGAT2 Q96PD7 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
SCHEMBL5752714 0.90 PPARG (0.39) BACE1CNR2
SCHEMBL5755540 0.88 MAPK14 (0.41) BACE1
SCHEMBL5752646 0.88 BACE1 (0.43) BACE1ALDH1A1KDM4EPSMB5BACE2
SCHEMBL5748432 0.87 NPSR1 (0.37) BACE1ALDH1A1KDM4ES1PR3DGAT2
SCHEMBL5754542 0.87 CETP (0.39) BACE1
SCHEMBL1900660 0.87 CETP (0.39) BACE1
SCHEMBL1900658 0.87 CETP (0.39) BACE1
SCHEMBL5752618 0.86 HPGDS (0.37) BACE1ALDH1A1KDM4EPSMB5CNR2
SCHEMBL5753546 0.85 HTR1A (0.40) BACE1ALDH1A1KDM4ECNR2MDM2
SCHEMBL7122508 0.84 ALDH1A1 (0.41) BACE1ALDH1A1KDM4EPSMB5CNR2

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-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

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 BACE1 835/4885ALDH1A1 783/4885KDM4E 244/4885

“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.