SCHEMBL3085694

SCHEMBL3085694

COc1ccccc1OCCCCOc1ccc(C2CCN(C(=O)O)CC2OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 5/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
PAX8 Q06710 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL3064737 0.89 REN (0.49)
SCHEMBL3065061 0.89 PDE4B (0.51) PDE4BALDH1A1
SCHEMBL3068343 0.87 PPARG (0.41) LMNAL3MBTL1MAPTKDM4ETDP1
SCHEMBL6041963 0.86 REN (0.45) L3MBTL1KDM4ETDP1ALDH1A1POLB
SCHEMBL3072743 0.86 ALDH1A1 (0.40) KDM4ETDP1ALDH1A1POLBRAB9A
SCHEMBL3082346 0.85 LMNA (0.46) LMNAL3MBTL1MAPTPDE4BKDM4E
SCHEMBL3065405 0.85 KMT2A (0.45) LMNAMAPTALDH1A1POLBRAB9A
SCHEMBL3415525 0.85 GAA (0.37) LMNAL3MBTL1MAPTPDE4BKDM4E
SCHEMBL3079268 0.84 MTNR1B (0.43) LMNAL3MBTL1MAPTRAB9ANPC1
SCHEMBL3079368 0.84 LMNA (0.46) LMNAL3MBTL1MAPTPDE4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885L3MBTL1 4797/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885L3MBTL1 4797/4885MAPT 2397/4885

“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.