SCHEMBL4172191

SCHEMBL4172191

CCOC(=O)c1cn(CC)c2ccc(CCCO)cc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
HPGD P15428 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
P2RX3 P56373 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL27713849 0.93 LMNA (0.69) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3978265 0.90 LMNA (0.65) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL7284037 0.88 LMNA (0.76) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL4391074 0.88 LMNA (0.68) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816853 0.87 LMNA (0.62) LMNAHPGDKMT2AMEN1MAPT
Iodide SCHEMBL4391070 0.87 LMNA (0.67) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL4176893 0.86 KDM4E (0.61) LMNAHPGDKMT2AMEN1POLB
SCHEMBL4391354 0.85 LMNA (0.71) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3291681 0.85 LMNA (0.47) LMNAHPGDKMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL4392488 0.85 LMNA (0.59) LMNAHPGDKMT2AMEN1MAPT

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
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
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 (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-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.