SCHEMBL3815499

SCHEMBL3815499

CCOC(=O)c1cn(CC)c2ccc(C#CCOCCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 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
SCHEMBL3816692 0.91 KDM4E (0.47) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816951 0.89 KDM4E (0.46) LMNAHPGDKMT2AMEN1POLB
SCHEMBL3974096 0.89 LMNA (0.56) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3291116 0.89 LMNA (0.37) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL4390951 0.89 LMNA (0.50) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3818542 0.82 LMNA (0.52) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL5433689 0.80 LMNA (0.53) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816675 0.80 LMNA (0.55) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3982430 0.79 LMNA (0.56) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL4139977 0.79 DDB1 (0.36) HPGDKMT2AMEN1ALDH1A1KDM4E

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
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

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 LMNA 2596/4885HPGD 1842/4885KMT2A 4129/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885HPGD 2617/4885KMT2A 3931/4885

“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.