SCHEMBL10163442

SCHEMBL10163442

CCCCn1cnc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.39
ASAH1 Q13510 1/20 0.39
ABCB1 P08183 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ADORA2A P29274 1/20 0.39
SLC9A1 P19634 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 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
SCHEMBL13749801 0.95 LTA4H (0.49) LTA4HLMNAALDH1A1KMT2ATDP1
SCHEMBL3960228 0.90 LTA4H (0.52) LTA4HLMNAALDH1A1KDM4ETDP1
Thioglycolic Acid SCHEMBL29143131 0.84 LTA4H (0.44) LTA4HALDH1A1KMT2AASAH1
SCHEMBL11250423 0.83 LTA4H (0.50) LTA4HLMNATDP1MAPTNPC1
SCHEMBL4867446 0.83 LTA4H (0.50) LTA4HLMNAKMT2ATDP1MAPT
SCHEMBL231309 0.82 LTA4H (0.48) LTA4HALDH1A1KMT2APOLBKDM4E
SCHEMBL8652765 0.82 LTA4H (0.49) LTA4HLMNAKMT2ATDP1MAPT
SCHEMBL4863437 0.82 LTA4H (0.49) LTA4HLMNAKMT2ATDP1MAPT
SCHEMBL12132422 0.81 LTA4H (0.46) LTA4HLMNAALDH1A1KMT2ATDP1
SCHEMBL9570017 0.79 LTA4H (0.52) LTA4HLMNATDP1GAARAB9A

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
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (4 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-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885LMNA 4270/4885ALDH1A1 452/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885LMNA 4270/4885ALDH1A1 452/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 LTA4H 291/4885LMNA 3616/4885ALDH1A1 1193/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 LTA4H 17/4885LMNA 3009/4885ALDH1A1 1995/4885

“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.