SCHEMBL4134055

SCHEMBL4134055

NCCOCCSc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2B P18089 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 2/20 0.33
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AADAT Q8N5Z0 2/20 0.31
TUBB4A P04350 1/20 0.31
POLB P06746 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31

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
SCHEMBL4136252 0.82 KDM4E (0.33) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
Trifluoroacetic Acid SCHEMBL4142666 0.80 KDM4E (0.56) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4142668 0.80 KDM4E (0.56) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4146945 0.77 KDM4E (0.39) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
Hydrochloric Acid SCHEMBL4129204 0.76 KDM4E (0.64) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL4884272 0.74 KDM4E (0.36) KDM4ECYP1A2ADRA2BMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL3977815 0.73 KDM4E (0.40) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL4886189 0.72 KDM4E (0.35) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
Trifluoroacetic Acid SCHEMBL4125521 0.72 KDM4E (0.61) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4125523 0.72 KDM4E (0.61) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD

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-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 US disclosed
EP-1824869-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050941-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-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.