SCHEMBL4586100

SCHEMBL4586100

CCCCCc1ccc2cc(C=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
LTB4R Q15722 1/20 0.42
TLR8 Q9NR97 3/20 0.38
GRM1 Q13255 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
PLA2G4A P47712 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A3 P47895 4/20 0.36
ALDH3A1 P30838 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL4586790 0.83 ALDH1A3 (0.39) ALDH1A3ALDH3A1ALDH1A1GAAHDAC1
SCHEMBL29846618 0.77 LMNA (0.50) KCNH2LTB4RTLR8GPBAR1
SCHEMBL28187202 0.76 KCNH2 (0.50) KCNH2LTB4RTLR8
SCHEMBL27139099 0.76 HDAC1 (0.40) ALDH1A1GAAHDAC1HDAC2CYSLTR2
SCHEMBL24219776 0.76 HDAC1 (0.36) ALDH1A3ALDH3A1ALDH1A1GAAHDAC1
SCHEMBL181524 0.74 PLA2G4A (0.51) PLA2G4AALDH1A1HIF1A
SCHEMBL30166116 0.73 CA2 (0.50) KCNH2LTB4RTLR8PLA2G4AALDH1A1
SCHEMBL16901825 0.73 KCNH2 (0.46) KCNH2PLA2G4AALDH1A3ALDH3A1ALDH1A1
SCHEMBL860157 0.73 KCNH2 (0.58) KCNH2TLR8GPBAR1ALDH1A1HIF1A
SCHEMBL27148937 0.72 HDAC1 (0.36) GPBAR1ALDH1A3ALDH1A1GAAHDAC1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 KCNH2 4256/4885LTB4R 4451/4885TLR8 4722/4885

“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.