SCHEMBL5606068

SCHEMBL5606068

COC(=O)C1CCC(NC(=O)CCCN2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
GAA P10253 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAOX Q6QHF9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 2/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK14 Q16539 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
SCHEMBL5606056 1.00 EPHX1 (0.46) EPHX1GAASMYD3ALDH1A1EPHX2
SCHEMBL5605682 0.86 EPHX1 (0.49) EPHX1GAASMYD3ALDH1A1EPHX2
SCHEMBL5605675 0.86 EPHX1 (0.49) EPHX1GAASMYD3ALDH1A1EPHX2
SCHEMBL3225073 0.79 EPHX1 (0.50) EPHX1GAASMYD3ALDH1A1EPHX2
SCHEMBL2941951 0.76 SMN1; SMN2 (0.47) SMYD3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2941952 0.76 SMN1; SMN2 (0.47) SMYD3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25501931 0.74 SMN1; SMN2 (0.55) EPHX1GAASMYD3SIGMAR1SMN1; SMN2
SCHEMBL2944522 0.73 POLB (0.43) GAASMYD3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2944520 0.73 POLB (0.43) GAASMYD3ALDH1A1SMN1; SMN2MEN1
SCHEMBL12819735 0.73 SMYD3 (0.56) EPHX1GAASMYD3ALDH1A1SIGMAR1

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-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 US 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH EPHX1 2734/4885GAA 2464/4885SMYD3 1499/4885

“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.