SCHEMBL4076672

SCHEMBL4076672

CCCCCC(=O)OOc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
PLA2G4B P0C869 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4073813 0.80 BCL9 (0.58) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL7069628 0.79 ALDH1A1 (0.47) ALDH1A1TDP1BCL9CTNNB1LMNA
SCHEMBL13303505 0.78 MAPT (0.60) ALDH1A1TDP1GPR35MAPTLMNA
SCHEMBL27719937 0.78 MAPT (0.56) ALDH1A1ESR1CNR2MAPTLMNA
SCHEMBL11827872 0.78 MAPT (0.56) ALDH1A1ESR1CNR2MAPTLMNA
SCHEMBL4081338 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ECNR2HPGDHTT
SCHEMBL28075182 0.75 ALDH1A1 (0.57) ALDH1A1TDP1BCL9CTNNB1GPR35
SCHEMBL4076676 0.74 KMT2A (0.47) ALDH1A1TDP1ESR1BCL9CTNNB1
SCHEMBL20476360 0.74 GPR35 (0.47) ALDH1A1ESR1BCL9CTNNB1GPR35
SCHEMBL28033979 0.73 BCL9 (0.47) ALDH1A1TDP1BCL9CTNNB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response CANON KABUSHIKI KAISHA (JP) 2006-11-23 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 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-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response SKP1, HAMP, AUP1 ALDH1A1 2654/4885TDP1 3820/4885ESR1 3549/4885

“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.