SCHEMBL4074486

SCHEMBL4074486

O=C(O)CCCCCCCCCCC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
APP P05067 1/20 0.41
KDM4A O75164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4532746 1.00 MAOB (0.46) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL9508856 0.94 MAOB (0.50) MAOBTDP1MEN1KMT2AALDH1A1
SCHEMBL10639294 0.90 MAOB (0.49) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL4531780 0.89 MAOB (0.49) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10400395 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10926288 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL14639145 0.88 ALDH1A1 (0.47) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL3612598 0.88 MAOB (0.45) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10400145 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL1053907 0.88 MAOB (0.45) MAOBTDP1MAPTMEN1KMT2A

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-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
EP-1644479-A4 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2008-04-23 EP disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 US disclosed
EP-1644479-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY Grinstaff, Mark, W. (US) 2006-04-12 EP disclosed
WO-2005007810-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2005-01-27 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-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery ANXA6, STING1, POLRMT MAOB 4626/4885TDP1 929/4885MAPT 2931/4885

“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.