SCHEMBL3810327

SCHEMBL3810327

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
METTL3 Q86U44 1/20 0.33
POLB P06746 1/20 0.32
S1PR2 O95136 1/20 0.32
CYP1A2 P05177 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
SCHEMBL14048232 0.91 TTR (0.40) KMOALDH1A1KMT2APTK2BKDM4E
SCHEMBL3819720 0.88 KMO (0.32) KMOALDH1A1KMT2APTK2BKDM4E
SCHEMBL13717716 0.86 ALDH1A1 (0.38) ALDH1A1KMT2APTK2BKDM4EHPGD
SCHEMBL3814338 0.82 TOP1 (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL13799060 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL3816061 0.75 TOP1 (0.46) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL14048263 0.75 TOP1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3812812 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL3809966 0.74 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL3819336 0.72 TOP1 (0.33) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 5 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
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 KMO 3234/4885ALDH1A1 2370/4885KMT2A 4129/4885

“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.