SCHEMBL5750106

SCHEMBL5750106

CCOC(=O)CC(=O)c1ccc(Oc2ccc(Cl)c(CC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LGALS8 O00214 2/20 0.40
LGALS3 P17931 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
FFAR1 O14842 1/20 0.39
MMP1 P03956 1/20 0.39
SCN9A Q15858 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
P4HB P07237 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11087771 0.84 MMP1 (0.55) HTR2AKCNH2KDM4EALDH1A1MEN1
SCHEMBL5752711 0.79 MAPT (0.59) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL5753439 0.79 ERCC5 (0.62) ALDH1A1MEN1KMT2AERCC5FEN1
SCHEMBL31299787 0.78 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1348885 0.78 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30081035 0.76 MEN1 (0.50) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL5773909 0.76 MEN1 (0.50) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL23149606 0.76 ERCC5 (0.57) ALDH1A1L3MBTL1ERCC5FEN1MMP1
SCHEMBL276803 0.76 SMN1; SMN2 (0.61) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8084843 0.75 KMT2A (0.54) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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 HTR2A 705/4885SLC6A4 777/4885KCNH2 4532/4885

“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.