SCHEMBL14048232

SCHEMBL14048232

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
PLAU P00749 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMO O15229 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
PLA2G2A P14555 1/20 0.33
TOP1 P11387 1/20 0.33
POLB P06746 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
SCHEMBL3810327 0.91 KMO (0.34) ALDH1A1KMOKDM4EHPGDTSHR
SCHEMBL3819720 0.87 KMO (0.32) ALDH1A1KMOKDM4EHPGDTSHR
SCHEMBL14048263 0.83 TOP1 (0.40) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL13717716 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL14048262 0.77 TOP1 (0.49) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL4397020 0.77 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL3812812 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL3814338 0.73 TOP1 (0.35) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL13799060 0.72 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL3819336 0.72 TOP1 (0.33) ALDH1A1KDM4EHPGDTSHRRAB9A

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 TTR 2227/4885PLAU 3031/4885ALDH1A1 2370/4885

“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.