SCHEMBL3816643

SCHEMBL3816643

CCOC(=O)c1cn(CC)c2ccc(C=COCCOCCO)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3816640 1.00 LMNA (0.57) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL5175242 0.90 HPGD (0.53) LMNAKMT2AHPGDMEN1POLB
SCHEMBL3977492 0.82 LMNA (0.65) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3977496 0.82 LMNA (0.65) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3816853 0.82 LMNA (0.62) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL4908153 0.82 LMNA (0.62) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3816761 0.77 LMNA (0.67) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3982082 0.76 LMNA (0.57) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3982077 0.76 LMNA (0.57) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL4968731 0.76 KDM4E (0.55) LMNAKMT2AHPGDMEN1MAPT

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
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 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-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-09 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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 (3 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 LMNA 2596/4885KMT2A 4129/4885HPGD 1842/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885KMT2A 3931/4885HPGD 2617/4885
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 LMNA 3497/4885KMT2A 2509/4885HPGD 3347/4885

“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.