SCHEMBL3982923

SCHEMBL3982923

CCOC(=O)c1cn(CC)c2ccc(C#CCO)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
HPGD P15428 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41

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
SCHEMBL7129506 0.88 LMNA (0.69) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7126369 0.86 LMNA (0.64) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL4396944 0.85 LMNA (0.69) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL3288275 0.85 LMNA (0.47) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL3974096 0.83 LMNA (0.56) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL13799057 0.83 LMNA (0.56) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7284037 0.83 LMNA (0.76) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7285360 0.81 LMNA (0.77) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL5433689 0.81 LMNA (0.53) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL27713849 0.81 LMNA (0.69) LMNAHPGDKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A LMNA 2615/4885HPGD 1267/4885KMT2A 4774/4885
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.