SCHEMBL5012269

SCHEMBL5012269

COCCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
XDH P47989 1/20 0.40
CHRM1 P11229 1/20 0.39
CNR2 P34972 4/20 0.39
CNR1 P21554 4/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3812721 0.92 KDM4E (0.44) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3815329 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL4965584 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL13997408 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL5007881 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL5010988 0.83 KDM4E (0.36) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL4021949 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3819928 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3810509 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3820645 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 US disclosed
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 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-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 KDM4E 1535/4885ALDH1A1 2548/4885HPGD 2512/4885

“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.