SCHEMBL3815641

SCHEMBL3815641

COc1cc2c(cc1NCCOCCO)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.41
TOP2A P11388 1/20 0.41
CYP2C9 P11712 1/20 0.41
TOP2B Q02880 1/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
KCNH2 Q12809 3/20 0.39
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL3819327 0.91 GSK3B (0.44) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14030160 0.90 GSK3B (0.44) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3812651 0.88 KDM4E (0.43) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3814640 0.88 KDM4E (0.53) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3812467 0.88 KDM4E (0.42) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3819475 0.87 GSK3B (0.41) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3819481 0.87 GSK3B (0.41) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4173042 0.82 ADRB2 (0.37) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3819485 0.81 GSK3B (0.40) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10243103 0.81 KDM4E (0.42) GSK3BKDM4EALDH1A1HPGDHSD17B10

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
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

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 GSK3B 3746/4885KDM4E 2612/4885ALDH1A1 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.