SCHEMBL4632206

SCHEMBL4632206

COc1ccc2c(c1)CCC(CN1CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC)CC1C)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 4/20 0.58
KCNH2 Q12809 3/20 0.57
HSD17B10 Q99714 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
OPRM1 P35372 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GSK3B P49841 1/20 0.46

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
SCHEMBL4633021 0.90 KCNH2 (0.56) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4634090 0.83 KDM4E (0.57) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4632214 0.80 KDM4E (0.65) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL16011476 0.78 KDM4E (0.66) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL14010195 0.78 KDM4E (0.66) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL6832069 0.78 KDM4E (0.75) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL29351326 0.78 KDM4E (0.75) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4632188 0.78 PIK3CG (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14010244 0.78 KDM4E (0.68) KDM4EALDH1A1TDP1LMNAPOLB
Hydrochloric Acid SCHEMBL9773650 0.78 KDM4E (0.74) KDM4EALDH1A1TDP1LMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139574-A1 Novel quinoline derivatives CADILA HEALTHCARE LIMITED 2008-06-12 US claimed
EP-1927589-A1 Quinoline derivatives CADILA HEALTHCARE LTD. (IN) 2008-06-04 EP claimed
US-20080139574-A1 Novel quinoline derivatives CADILA HEALTHCARE LIMITED 2008-06-12 US disclosed
EP-1927589-A1 Quinoline derivatives CADILA HEALTHCARE LTD. (IN) 2008-06-04 EP 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-20080139574-A1 Novel quinoline derivatives UGT1A7, CYP3A5, CYP3A7 KDM4E 2801/4885ALDH1A1 1249/4885TDP1 2329/4885

“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.