SCHEMBL5750113

SCHEMBL5750113

O=C(OCc1ccccc1)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(=O)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.48
MAPK14 Q16539 1/20 0.41
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5754412 0.86 CETP (0.41) CETPMAPK14
SCHEMBL5752135 0.85 CETP (0.42) CETPMAPK14
SCHEMBL5753775 0.84 MAPK14 (0.47) CETPMAPK14TDP1
SCHEMBL5749216 0.82 POLB (0.42) CETPMAPK14KMT2ALMNANPC1
SCHEMBL5753498 0.79 L3MBTL1 (0.47) CETPLMNATDP1TP53
SCHEMBL5749872 0.77 CETP (0.53) CETPNAMPTGPR132
SCHEMBL5751621 0.76 CETP (0.43) CETPMAPK14
SCHEMBL5756069 0.75 CETP (0.51) CETPNAMPTKMT2AGPR132
SCHEMBL5748228 0.74 CETP (0.55) CETP
SCHEMBL5750278 0.74 CETP (0.48) CETPKMT2ALMNATDP1GPR132

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 CETP 1/4885MAPK14 3182/4885NAMPT 2791/4885

“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.