SCHEMBL4464665

SCHEMBL4464665

O=C(O)c1cc(Br)c2c(c1Cl)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.41
ALDH1A1 P00352 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GRIK1 P39086 1/20 0.35
HCAR3 P49019 3/20 0.34
HCAR2 Q8TDS4 3/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 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
SCHEMBL9142237 0.85 MAPT (0.38) CNR1ALDH1A1MAPTGAAKDM4E
SCHEMBL4467375 0.85 KDM4E (0.39) CNR1ALDH1A1TSHRMAPTGAA
SCHEMBL4466842 0.85 CNR1 (0.43) CNR1ALDH1A1AKR1C2AKR1C1HCAR3
SCHEMBL4462769 0.81 CNR1 (0.57) CNR1ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL4463071 0.81 CNR1 (0.65) CNR1TSHRMAPTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL9143373 0.75 CNR1 (0.31) CNR1
Hydrochloric Acid SCHEMBL9143722 0.75 CA12 (0.33) CNR1GAASMN1; SMN2KDM4EMEN1
SCHEMBL4464885 0.73 CNR1 (0.64) CNR1ALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL4867081 0.72 CNR1 (0.44) CNR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4868360 0.72 CNR1 (0.45) CNR1ALDH1A1AKR1C4AKR1C3AKR1C2

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 8 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
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US 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 607/4885AKR1C4 806/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 299/4885AKR1C4 549/4885

“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.