SCHEMBL3812486

SCHEMBL3812486

O=C(O)CCOCCOCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.53
GABRB2 P47870 6/20 0.53
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL13718281 0.92 GABRA1 (0.52) GABRA1GABRB2HTTKDM4E
SCHEMBL3812183 0.89 HTT (0.52) GABRA1GABRB2HTTKDM4E
SCHEMBL3816049 0.86 GABRA1 (0.48) GABRA1GABRB2HTTKDM4E
SCHEMBL4963341 0.81 HTT (0.46) GABRA1GABRB2HTTKDM4E
SCHEMBL4186490 0.80 KDM4E (0.57) GABRA1GABRB2HTTKDM4E
SCHEMBL9426432 0.80 GABRA1 (0.69) GABRA1GABRB2HTTKDM4E
SCHEMBL17337999 0.79 GABRA1 (0.68) GABRA1GABRB2HTTKDM4E
SCHEMBL4960099 0.78 HTT (0.39) HTTKDM4E
SCHEMBL17337966 0.78 GABRA1 (0.67) GABRA1GABRB2HTTKDM4E
SCHEMBL17337963 0.77 KDM4E (0.56) GABRA1GABRB2HTTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 GABRA1 3483/4885GABRB2 4112/4885HTT 3684/4885

“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.