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SCHEMBL3814971

SCHEMBL3814971

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(NCCOCCOCCC#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.43
▸ LMNA P02545 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD3 P35462 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2J2 P51589 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14048262 0.89 TOP1 (0.49) TOP1LMNAHPGDPOLBTAAR1
SCHEMBL3819336 0.88 TOP1 (0.33) TOP1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL3816061 0.88 TOP1 (0.46) TOP1LMNAHPGDPOLBTAAR1
SCHEMBL14048258 0.86 HPGD (0.52) TOP1LMNAHPGDPOLBTAAR1
SCHEMBL4388689 0.83 KDM4E (0.50) TOP1LMNAHPGDALDH1A1MAPT
SCHEMBL3819720 0.78 KMO (0.32) HPGDPOLBALDH1A1HTTKMT2A
SCHEMBL14048263 0.78 TOP1 (0.40) TOP1LMNAHPGDPOLBTAAR1
SCHEMBL3814338 0.76 TOP1 (0.35) TOP1HPGDALDH1A1MAPTKDM4E
SCHEMBL14048303 0.74 TOP1 (0.46) TOP1LMNAHPGDPOLBTAAR1
SCHEMBL7845387 0.74 ALDH1A1 (0.46) LMNAHPGDPOLBTAAR1ALDH1A1

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
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
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 — — EP disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 — — WO 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 2305/4885LMNA 2596/4885HPGD 1842/4885

“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.