SCHEMBL2455847

SCHEMBL2455847

OCC=Cc1ccc2occc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
CTNNB1 P35222 4/20 0.39
WNT3A P56704 4/20 0.39
DYRK1A Q13627 2/20 0.38
IDO1 P14902 2/20 0.37
CDK9 P50750 1/20 0.37
HTR1B P28222 2/20 0.36
EPM2A O95278 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
GPR183 P32249 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL2455844 1.00 CYP2A6 (0.56) CYP2A6ALDH1A1CYP3A4RECQLCTNNB1
SCHEMBL9234283 0.80 CYP2A6 (0.53) CYP2A6CTNNB1WNT3ADYRK1AIDO1
SCHEMBL8993815 0.78 CYP2A6 (0.50) CYP2A6CTNNB1WNT3ADYRK1ACDK9
SCHEMBL8993825 0.78 CYP2A6 (0.50) CYP2A6CTNNB1WNT3ADYRK1ACDK9
SCHEMBL8648985 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4RECQL
SCHEMBL8648982 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4RECQL
SCHEMBL17821819 0.77 CYP2A6 (0.61) CYP2A6CTNNB1WNT3ADYRK1AIDO1
SCHEMBL15676441 0.77 CYP2A6 (0.61) CYP2A6ALDH1A1CYP3A4CTNNB1WNT3A
SCHEMBL17821821 0.77 CYP2A6 (0.61) CYP2A6CTNNB1WNT3ADYRK1AIDO1
SCHEMBL6599379 0.76 CYP2A6 (0.66) CYP2A6CTNNB1WNT3ADYRK1AIDO1

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-8017646-B2 e.g. 1-{3-[3-(3,4-dimethoxyphenyl)propoxy]propyl}pyrrolidine; neurodegenerative disorders, antidepressant, antidiabetic, hypotensive agent, cognition activator; BIOPROJET (FR) 2011-09-13 US disclosed
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application BIOPROJET (FR) 2008-07-31 US disclosed
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP 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-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application HRH3, HRH4, HRH1 CYP2A6 1498/4885ALDH1A1 1327/4885CYP3A4 1277/4885

“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.