SCHEMBL4884272

SCHEMBL4884272

NCCSc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP1 P11387 5/20 0.34
TOP2A P11388 4/20 0.34
AADAT Q8N5Z0 2/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TUBB4A P04350 1/20 0.32
POLB P06746 1/20 0.32
TUBB P07437 1/20 0.32

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
SCHEMBL4886189 0.94 KDM4E (0.35) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL8908261 0.78 KDM4E (0.48) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL4154463 0.78 KDM4E (0.38) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL4134055 0.74 KDM4E (0.39) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL2183758 0.73 MCL1 (0.49) KDM4ELMNA
Trifluoroacetic Acid SCHEMBL4183630 0.70 KDM4E (0.34) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL6671002 0.70 TOP1 (0.47) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4129204 0.69 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10330763 0.68 KDM4E (0.47) KDM4EADRA2BMAPK1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4125521 0.66 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KDM4E 4136/4885ADRA2B 2848/4885MAPK1 2012/4885

“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.