SCHEMBL321345

SCHEMBL321345

CCOCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MAOB P27338 4/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL10693614 0.94 CHRNA7 (0.54) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6852321 0.89 LMNA (0.64) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6392369 0.88 MAOB (0.63) SMN1; SMN2MAOBMAOABCHE
SCHEMBL320403 0.88 CHRNA7 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5677947 0.87 LMNA (0.62) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9808056 0.87 LMNA (0.72) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11805502 0.86 LTA4H (0.61) CYP1A2CYP2C19L3MBTL1LTA4H
SCHEMBL8675401 0.85 LMNA (0.60) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27581505 0.85 LMNA (0.60) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL215246 0.85 KCNA3 (0.58) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US disclosed
US-4088764-A CARDIOVASCULAR DISORDERS, BETA-ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIC AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4066768-A ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIC CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-01-03 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 CHRNA7 123/4885CHRNB2 138/4885CHRNB4 288/4885
US-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM CHRNA7 2023/4885CHRNB2 2014/4885CHRNB4 2505/4885

“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.