SCHEMBL4696548

SCHEMBL4696548

COc1cc(OC)c(CO)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.52
TAAR1 Q96RJ0 3/20 0.52
HTR2C P28335 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL29966236 0.92 HTR2A (0.61) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL24765332 0.92 HTR2A (0.61) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL17366526 0.89 PDE4A (0.52) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL14948494 0.88 HTR2A (0.52) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL7800044 0.86 HTR2A (0.45) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL27772997 0.84 PDE4A (0.47) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL17368626 0.83 HTR2A (0.52) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL4599789 0.82 PDE4A (0.46) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL3220881 0.82 PDE4A (0.46) HTR2ATAAR1HTR2CPDE4APDE4B
SCHEMBL16117914 0.82 PDE4A (0.46) HTR2ATAAR1HTR2CPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
CN-1604778-A Cis-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (1 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 HTR2A 1251/4885TAAR1 391/4885HTR2C 529/4885

“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.