SCHEMBL5518334

SCHEMBL5518334

O=[N+]([O-])c1cccc(OCCCCO)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.62
CHRNA4 P43681 1/20 0.62
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LTA4H P09960 1/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.48
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47

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
SCHEMBL31087898 1.00 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL8955653 0.98 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL31087900 0.98 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL31087905 0.98 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL5523744 0.95 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL29832812 0.95 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL77341 0.90 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL14028449 0.90 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL15498199 0.87 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL4939951 0.86 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185135-A1 Drug-Polymer Conjugates PHARMAESSENTIA CORP. 2007-08-09 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 (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-20070185135-A1 Drug-Polymer Conjugates LNPEP, MSN, ANPEP CHRNB2 2507/4885CHRNA4 3558/4885HPGD 2666/4885

“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.