SCHEMBL4466643

SCHEMBL4466643

O=C(O)c1ccc2c(c1F)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.44
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
WDR5 P61964 1/20 0.33
HSD11B1 P28845 1/20 0.33
LDHA P00338 1/20 0.33

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
SCHEMBL9040225 0.82 CNR1 (0.42) CNR1ALDH1A1ALOX15SRD5A1SRD5A2
SCHEMBL4468937 0.81 CNR1 (0.69) CNR1HSD11B1
SCHEMBL4465137 0.80 CNR1 (0.69) CNR1
SCHEMBL4860502 0.80 ALOX5 (0.43) CNR1KDM4EALDH1A1ALOX15
SCHEMBL4463290 0.79 CNR1 (0.54) CNR1KDM4EALDH1A1
SCHEMBL9057520 0.78 CNR1 (0.35) CNR1
SCHEMBL22209012 0.78 CTNNB1 (0.38) KDM4EASPHKDM8ALDH1A1ALOX15
SCHEMBL9142516 0.76 CNR1 (0.36) CNR1
SCHEMBL31474116 0.76 ALDH1A1 (0.39) KDM4EASPHKDM8ALDH1A1
SCHEMBL9141020 0.76 CNR1 (0.36) CNR1KDM4EALDH1A1

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 2/4885KDM4E 1037/4885ASPH 2786/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885KDM4E 1271/4885ASPH 3243/4885

“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.