SCHEMBL14048258

SCHEMBL14048258

CCn1cc(C(=O)O)c(=O)c2cc(F)c(NCCOCCOCCC#N)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.52
LMNA P02545 5/20 0.52
POLB P06746 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TOP1 P11387 3/20 0.49
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
HTT P42858 5/20 0.47
TSHR P16473 3/20 0.47
BRD4 O60885 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14030153 0.88 HPGD (0.54) HPGDLMNAPOLBTAAR1TOP1
SCHEMBL3812477 0.88 HPGD (0.56) HPGDLMNAPOLBTAAR1TOP1
SCHEMBL3814971 0.86 TOP1 (0.43) HPGDLMNAPOLBTAAR1TOP1
SCHEMBL4388689 0.84 KDM4E (0.50) HPGDLMNATOP1KDM4EALDH1A1
SCHEMBL28334702 0.82 HPGD (0.62) HPGDLMNAPOLBTAAR1TOP1
7-Desethyl-Norfloxacin SCHEMBL30610053 0.81 TOP1 (0.70) HPGDLMNAPOLBTAAR1TOP1
7-Desethyl-Norfloxacin SCHEMBL5551203 0.81 TOP1 (0.70) HPGDLMNAPOLBTAAR1TOP1
7-Desethyl-Norfloxacin SCHEMBL29548802 0.80 TOP1 (0.68) HPGDLMNAPOLBTAAR1TOP1
SCHEMBL22698659 0.80 HPGD (0.65) HPGDLMNAPOLBTAAR1TOP1
SCHEMBL6690458 0.78 TOP1 (0.61) HPGDLMNAPOLBTAAR1TOP1

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 HPGD 1842/4885LMNA 2596/4885POLB 2755/4885

“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.