SCHEMBL3811204

SCHEMBL3811204

CCCC(=O)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 1/20 0.57
STS P08842 1/20 0.55
HSD17B3 P37058 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.51
PLA2G4B P0C869 1/20 0.51
MMP1 P03956 1/20 0.51

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
SCHEMBL3813935 0.90 L3MBTL1 (0.64) L3MBTL1NPC1STSHSD17B3PLA2G4B
SCHEMBL15199293 0.87 L3MBTL1 (0.60) L3MBTL1NPC1STSHSD17B3PLA2G4B
SCHEMBL7929301 0.86 MEN1 (0.58) L3MBTL1NPC1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL11661633 0.83 L3MBTL1 (0.55) L3MBTL1NPC1STSHSD17B3SMN1; SMN2
SCHEMBL7336923 0.83 ALOX15 (0.53) L3MBTL1NPC1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL13753195 0.82 L3MBTL1 (0.77) L3MBTL1NPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL8381238 0.81 NPC1 (0.56) L3MBTL1NPC1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL4666309 0.81 LMNA (0.58) HPGDALOX15PLA2G4B
SCHEMBL8828412 0.80 ALOX15 (0.59) NPC1SMN1; SMN2ALOX15ALDH1A1TSHR
SCHEMBL1291801 0.79 L3MBTL1 (0.68) L3MBTL1NPC1STSHSD17B3SMN1; 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 6 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-1951043-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062067-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO 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 717/4885STS 779/4885

“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.