SCHEMBL5753102

SCHEMBL5753102

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.51
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MMP8 P22894 1/20 0.41
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 2/20 0.39
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 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
SCHEMBL5752575 0.88 MDM2 (0.50) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5754806 0.87 MDM2 (0.49) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5753584 0.87 MDM2 (0.49) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5754069 0.85 MDM2 (0.47) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5749378 0.85 MDM2 (0.48) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5750882 0.85 MDM2 (0.48) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5752404 0.82 MDM2 (0.46) MDM2TSHRMAPK1L3MBTL1TDP1
SCHEMBL5752663 0.82 MDM2 (0.60) MDM2ALDH1A1CYP2C9NPSR1LMNA
SCHEMBL5748807 0.81 EPHX2 (0.54) MDM2ALDH1A1MMP8CYP2C9CYP2C19
SCHEMBL5749460 0.81 MDM2 (0.51) MDM2TSHRMAPK1L3MBTL1TDP1

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 3868/4885TSHR 3729/4885MAPK1 2140/4885

“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.