SCHEMBL4469398

SCHEMBL4469398

O=C(O)c1ccc2c(c1)OC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALOX5 P09917 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
SRD5A2 P31213 2/20 0.37
SRD5A1 P18405 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CSNK2A1 P68400 2/20 0.36
HCAR1 Q9BXC0 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
SCHEMBL30257325 0.82 CNR1 (0.63) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL8728950 0.82 CNR1 (0.63) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL4473227 0.81 CNR1 (0.46) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL9040996 0.81 CNR1 (0.62) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL4479795 0.79 CA12 (0.44) ALDH1A1MAPK1
SCHEMBL4459473 0.78 CNR1 (0.73) CNR1ALDH1A1
SCHEMBL8118245 0.78 SRD5A2 (0.50) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL4465510 0.77 CNR1 (0.74) CNR1
SCHEMBL5753071 0.76 ALDH1A1 (0.52) CNR1ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL351400 0.76 CTNNB1 (0.64) ALDH1A1MAPK1CTNNB1WNT3AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 CNR1 2/4885ALDH1A1 607/4885MAPK1 1793/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 299/4885MAPK1 789/4885

“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.