SCHEMBL5750097

SCHEMBL5750097

O=C(CCc1ccccc1)NC(Cc1ccc(Oc2ccccc2)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
EPHX2 P34913 2/20 0.50
FFAR1 O14842 5/20 0.49
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CNR2 P34972 1/20 0.44
SRD5A2 P31213 1/20 0.44
HDAC1 Q13547 1/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL5753525 0.92 FFAR1 (0.51) LTA4HEPHX2FFAR1SLC6A2SLC6A4
SCHEMBL5753142 0.89 LTA4H (0.53) LTA4HEPHX2FFAR1CNR2HDAC1
SCHEMBL5752879 0.85 LMNA (0.56) SLC6A3CNR2HDAC1LMNAITGB3
SCHEMBL5753673 0.85 FFAR2 (0.52) FFAR1SLC6A2SLC6A4SLC6A3CNR2
SCHEMBL5749123 0.85 ALDH1A1 (0.59) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5755621 0.80 FFAR1 (0.48) LTA4HEPHX2FFAR1CNR2FFAR4
SCHEMBL5751228 0.80 CYP1A2 (0.49) CNR2HDAC1GAAALDH1A1HDAC8
SCHEMBL5750001 0.80 GAA (0.42) SLC6A2SLC6A4SLC6A3CNR2PLAAT3
SCHEMBL5751792 0.79 LMNA (0.49) CNR2HDAC1PLAAT3PLAAT5PLAAT2
SCHEMBL5755551 0.79 LMNA (0.49) CNR2HDAC1PLAAT3PLAAT5PLAAT2

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 LTA4H 1060/4885EPHX2 1434/4885FFAR1 137/4885

“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.