SCHEMBL14048263

SCHEMBL14048263

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(NCCOCCOCCN)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.40
TTR P02766 1/20 0.39
CISD1 Q9NZ45 8/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIM1 P11309 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL3814338 0.90 TOP1 (0.35) TOP1CISD1ALDH1A1HPGDKDM4E
SCHEMBL14048262 0.89 TOP1 (0.49) TOP1TTRALDH1A1HPGDKDM4E
SCHEMBL3819336 0.88 TOP1 (0.33) TOP1CISD1ALDH1A1HPGDKDM4E
SCHEMBL14048232 0.83 TTR (0.40) TOP1TTRALDH1A1HPGDKDM4E
SCHEMBL3810694 0.82 KDM4E (0.43) TOP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3819773 0.81 KDM4E (0.44) TOP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3816061 0.80 TOP1 (0.46) TOP1ALDH1A1HPGDKDM4ETSHR
SCHEMBL4908453 0.78 KDM4E (0.42) TOP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3814971 0.78 TOP1 (0.43) TOP1ALDH1A1HPGDKDM4ETSHR
SCHEMBL4388089 0.77 KDM4E (0.43) TOP1ALDH1A1HPGDKDM4EHSD17B10

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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 TOP1 2305/4885TTR 2227/4885CISD1 3363/4885

“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.