SCHEMBL4472949

SCHEMBL4472949

O=C(O)c1ccc2c(c1)OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.49
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CCR2 P41597 1/20 0.41
SRD5A1 P18405 2/20 0.41
SRD5A2 P31213 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TTR P02766 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
MAOB P27338 1/20 0.39
ALOX5 P09917 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL4473227 0.87 CNR1 (0.46) CNR1SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL8728950 0.85 CNR1 (0.63) CNR1SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL30257325 0.85 CNR1 (0.63) CNR1SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL8118245 0.84 SRD5A2 (0.50) CNR1SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL9040996 0.83 CNR1 (0.62) CNR1SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL4464912 0.81 TRPV1 (0.48) CNR1NPC1RAB9ASRD5A1SRD5A2
SCHEMBL4461805 0.80 CNR1 (0.76) CNR1NPC1RAB9AALDH1A1
SCHEMBL4460431 0.80 HCAR2 (0.49) CNR1HCAR2NPC1RAB9ATTR
SCHEMBL8728849 0.76 CNR1 (0.60) CNR1NPC1RAB9ASRD5A1SRD5A2
SCHEMBL4469398 0.75 CNR1 (0.46) CNR1HCAR3HCAR2SRD5A1SRD5A2

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 2/4885HCAR3 223/4885HCAR2 74/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885HCAR3 336/4885HCAR2 118/4885

“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.