SCHEMBL5665266

SCHEMBL5665266

O=Cc1cccc(OCCc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
MAOA P21397 7/20 0.52
MAOB P27338 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL510249 0.85 ALDH1A1 (0.70) TLR4TLR2MAOAMAOBSMN1; SMN2
SCHEMBL30777705 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1299578 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1HPGDRAB9A
SCHEMBL5543437 0.79 MAOA (0.66) TLR4TLR2MAOAMAOBSMN1; SMN2
SCHEMBL30791325 0.79 MAOA (0.71) TLR4TLR2MAOAMAOBKDM4E
SCHEMBL923674 0.79 MAOA (0.71) TLR4TLR2MAOAMAOBKDM4E
SCHEMBL9059700 0.78 MAOA (0.70) TLR4TLR2MAOAMAOBSMN1; SMN2
SCHEMBL10697786 0.78 HRH1 (0.53) SMN1; SMN2ALDH1A1HPGDRAB9ACA12
SCHEMBL30724528 0.78 MAOA (0.64) TLR4TLR2MAOAMAOBALDH1A1
SCHEMBL13645879 0.78 TDP1 (0.60) SMN1; SMN2KDM4EALDH1A1RAB9ATDP1

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-20060205692-A1 1,1-and 1,2-Bisphosphonates as apoliprotein e modulators MONTES IMBER F 2006-09-14 US disclosed
EP-1506208-A4 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS INC (US) 2006-05-24 EP disclosed
EP-1506208-A2 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2005-02-16 EP disclosed
WO-2003094851-A2 1,1- AND 1,2-BISPHOSPHONATES AS APOLIPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-11-20 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-20060205692-A1 1,1-and 1,2-Bisphosphonates as apoliprotein e modulators APOB, APOL1, HDLBP TLR4 1874/4885TLR2 2349/4885MAOA 3449/4885

“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.