SCHEMBL3814338

SCHEMBL3814338

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CISD1 Q9NZ45 5/20 0.33
S1PR2 O95136 2/20 0.33
ALDH1A1 P00352 1/20 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
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 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
SCHEMBL14048263 0.90 TOP1 (0.40) TOP1KDM4ECISD1ALDH1A1HPGD
SCHEMBL3819336 0.88 TOP1 (0.33) TOP1KDM4ECISD1ALDH1A1HPGD
SCHEMBL3816061 0.87 TOP1 (0.46) TOP1KDM4EMAPTALDH1A1HPGD
SCHEMBL3819725 0.85 KDM4E (0.47) TOP1KDM4ETP53MAPTALDH1A1
SCHEMBL3812740 0.83 METTL3 (0.38) TOP1KDM4ETP53MAPTCISD1
SCHEMBL3810327 0.82 KMO (0.34) KDM4ES1PR2ALDH1A1HPGDTSHR
SCHEMBL3812467 0.82 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL14048262 0.78 TOP1 (0.49) TOP1KDM4EMAPTALDH1A1HPGD
SCHEMBL13718015 0.76 KDM4E (0.45) TOP1KDM4EMAPTALDH1A1HPGD
SCHEMBL3814971 0.76 TOP1 (0.43) TOP1KDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
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 2305/4885KDM4E 2612/4885TP53 4613/4885

“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.