SCHEMBL3815329

SCHEMBL3815329

CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 6/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3812721 0.93 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL5012269 0.90 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3820409 0.87 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13997241 0.87 HPGD (0.55) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3812462 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL14529470 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3843176 0.86 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL5010988 0.86 KDM4E (0.36) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL5008794 0.86 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL4021949 0.85 KDM4E (0.36) KDM4EHPGDALDH1A1HSD17B10TSHR

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 5 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
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 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 (2 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 KDM4E 2612/4885HPGD 1842/4885ALDH1A1 2370/4885
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 KDM4E 1535/4885HPGD 2512/4885ALDH1A1 2548/4885

“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.