SCHEMBL5752974

SCHEMBL5752974

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NLRP3 Q96P20 7/20 0.47
ALDH1A1 P00352 3/20 0.42
CTSA P10619 1/20 0.41
MAPT P10636 2/20 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
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39

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) CYP1A2NLRP3ALDH1A1MAPTMGAM
SCHEMBL18593230 0.82 CYP1A2 (0.50) CYP1A2NLRP3ALDH1A1MAPTMGAM
SCHEMBL1545927 0.82 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTMGAMGAA
SCHEMBL24141795 0.82 CYP1A2 (0.50) CYP1A2NLRP3ALDH1A1MAPTMGAM
SCHEMBL5751063 0.82 CYP1A2 (0.50) CYP1A2NLRP3ALDH1A1CTSAMAPT
SCHEMBL31337797 0.81 CYP1A2 (0.77) CYP1A2ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1095857 0.81 CYP1A2 (0.77) CYP1A2ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL15661105 0.81 CYP1A2 (0.49) CYP1A2NLRP3ALDH1A1CTSAMAPT
SCHEMBL20028746 0.78 P2RX7 (0.55) CYP1A2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL29036215 0.77 GAA (0.42) CYP1A2NLRP3ALDH1A1MAPTMGAM

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 4321/4885ALDH1A1 783/4885

“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.