SCHEMBL4131578

SCHEMBL4131578

CCNCCSc1cc2c3c(c1)c(=O)c(C(=O)OCC)cn3[C@H](C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ADRB2 P07550 1/20 0.40
HPGD P15428 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
STAT3 P40763 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL4131576 1.00 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4169500 0.89 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4135830 0.87 KDM4E (0.42) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4135833 0.87 KDM4E (0.42) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Trifluoroacetic Acid SCHEMBL4137025 0.84 KDM4E (0.48) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL13872059 0.81 KDM4E (0.41) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4130518 0.79 KDM4E (0.72) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4136851 0.79 KDM4E (0.54) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4130521 0.79 KDM4E (0.72) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL4131419 0.79 KDM4E (0.54) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 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 (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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885SMN1; SMN2 2560/4885CYP1A2 146/4885

“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.