SCHEMBL5751063

SCHEMBL5751063

CCOC(=O)CC(=O)c1cccc(F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NLRP3 Q96P20 4/20 0.43
CTSA P10619 1/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 3/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 1/20 0.38
MIF P14174 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL3943579 0.84 P2RX7 (0.54) CYP1A2NLRP3MAPTMGAMGAA
SCHEMBL5752974 0.82 CYP1A2 (0.50) CYP1A2NLRP3CTSAMAPTMGAM
SCHEMBL24141795 0.82 CYP1A2 (0.50) CYP1A2NLRP3MAPTMGAMGAA
SCHEMBL18593230 0.82 CYP1A2 (0.50) CYP1A2NLRP3MAPTMGAMGAA
SCHEMBL1545927 0.82 CYP1A2 (0.63) CYP1A2MAPTMGAMGAASI
SCHEMBL20028746 0.81 P2RX7 (0.55) CYP1A2MAPTMAPK1ALDH1A1KMT2A
SCHEMBL16415870 0.81 CYP1A2 (0.77) CYP1A2MAPTGAAMAPK1KDM4E
SCHEMBL15661105 0.81 CYP1A2 (0.49) CYP1A2NLRP3CTSAMAPTMGAM
SCHEMBL19336113 0.79 CYP1A2 (0.43) CYP1A2CTSAMAPTGRM4KDM4E
SCHEMBL601821 0.75 LMNA (0.54) CYP1A2MAPTGRM4GAAKDM4E

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 CYP1A2 853/4885NLRP3 4321/4885CTSA 1425/4885

“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.