SCHEMBL5605682

SCHEMBL5605682

O=C(CCCN1CCOCC1)NC1CCC(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
GAA P10253 1/20 0.49
SMYD3 Q9H7B4 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
GLA P06280 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5605675 1.00 EPHX1 (0.49) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL5606056 0.86 EPHX1 (0.46) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL5606068 0.86 EPHX1 (0.46) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL3225073 0.82 EPHX1 (0.50) EPHX1GAASMYD3ALDH1A1CA1
SCHEMBL7564489 0.77 ALDH1A1 (0.50) EPHX1GAAALDH1A1GLACA1
SCHEMBL5606028 0.76 KDM1A (0.48) EPHX1GAAALDH1A1GLAKDM4E
SCHEMBL12819735 0.76 SMYD3 (0.56) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL19742394 0.76 SIGMAR1 (0.63) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL18939245 0.75 SMN1; SMN2 (0.51) EPHX1GAASMYD3ALDH1A1SIGMAR1
SCHEMBL25501931 0.74 SMN1; SMN2 (0.55) EPHX1GAASMYD3SIGMAR1GLA

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 6 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
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 EP 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
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 WO 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.