SCHEMBL9561277

SCHEMBL9561277

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.46
HSP90AB1 P08238 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45

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
SCHEMBL77341 0.91 CHRNB2 (0.66) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL15498199 0.87 CHRNB2 (0.73) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL29832812 0.86 CHRNB2 (0.64) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL5523744 0.86 CHRNB2 (0.64) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL15720996 0.85 CHRNB2 (0.63) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL5518334 0.85 CHRNB2 (0.62) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL31087898 0.85 CHRNB2 (0.62) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL8955653 0.84 CHRNB2 (0.61) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL31087905 0.84 CHRNB2 (0.61) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL31087900 0.84 CHRNB2 (0.61) CHRNB2CHRNA4KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732063-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-08-15 US disclosed
EP-2925742-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2016-10-26 EP disclosed
US-20150329523-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2015-11-19 US disclosed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed
US-5243004-A Polymeric conductors FUJI PHOTO FILM CO., LTD. (JP) 1993-09-07 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-20150329523-A1 KINASE INHIBITORS SYK, SRC, BTK CHRNB2 2178/4885CHRNA4 3163/4885KMT2A 3728/4885

“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.