SCHEMBL4473227

SCHEMBL4473227

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
TPMT P51580 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.41
SRD5A2 P31213 4/20 0.40
SRD5A1 P18405 2/20 0.40
TTR P02766 4/20 0.40
ALOX15 P16050 1/20 0.40
ALB P02768 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
OPRD1 P41143 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL8118245 0.88 SRD5A2 (0.50) CNR1ALDH1A1MAPK1TSHRSRD5A2
SCHEMBL4472949 0.87 CNR1 (0.49) CNR1RXRARXRBALDH1A1MAPK1
SCHEMBL30257325 0.82 CNR1 (0.63) CNR1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL8728950 0.82 CNR1 (0.63) CNR1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL4469398 0.81 CNR1 (0.46) CNR1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL9040996 0.81 CNR1 (0.62) CNR1ALDH1A1MAPK1SRD5A2SRD5A1
SCHEMBL4469285 0.78 CNR1 (0.73) CNR1ALDH1A1TSHR
SCHEMBL4466577 0.77 CNR1 (0.74) CNR1
SCHEMBL8728849 0.73 CNR1 (0.60) CNR1SRD5A2SRD5A1CTNNB1WNT3A
SCHEMBL21674399 0.73 ALDH1A1 (0.52) CNR1RXRAALDH1A1MAPK1TSHR

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 2/4885RXRA 519/4885RXRB 319/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885RXRA 724/4885RXRB 515/4885

“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.