SCHEMBL3829470

SCHEMBL3829470

CCCCC(=O)c1ccc(OCCCC(=O)OCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
NPC1 O15118 1/20 0.60
MAPT P10636 2/20 0.59
MMP1 P03956 1/20 0.58
HRH2 P25021 7/20 0.57
HRH1 P35367 7/20 0.57
THRB P10828 4/20 0.56
THRA P10827 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD4 P21917 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL3814672 0.93 L3MBTL1 (0.63) L3MBTL1NPC1MAPTMMP1HRH2
SCHEMBL3811266 0.88 L3MBTL1 (0.59) L3MBTL1NPC1MAPTMMP1HRH2
SCHEMBL8754539 0.87 THRA (0.65) L3MBTL1MMP1HRH2HRH1THRB
SCHEMBL28875657 0.86 L3MBTL1 (0.66) L3MBTL1MMP1HRH2HRH1THRB
SCHEMBL28315253 0.86 L3MBTL1 (0.66) L3MBTL1MMP1HRH2HRH1THRB
SCHEMBL9172925 0.84 MMP1 (0.58) L3MBTL1NPC1MAPTMMP1THRB
SCHEMBL9042605 0.84 L3MBTL1 (0.59) L3MBTL1MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11440823 0.83 L3MBTL1 (0.76) L3MBTL1NPC1MMP1HRH2HRH1
SCHEMBL1373310 0.83 L3MBTL1 (0.57) L3MBTL1NPC1MAPTMMP1HRH2
SCHEMBL7370624 0.82 PARP10 (0.63) L3MBTL1MAPTSMN1; SMN2

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
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080234199-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080234199-A1 Chemical Compounds GPER1, ESR2, ESR1 L3MBTL1 4673/4885NPC1 717/4885MAPT 3618/4885

“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.