SCHEMBL2446604

SCHEMBL2446604

COc1cccc(CO)c1C1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
PPARD Q03181 2/20 0.39
ALOX5 P09917 2/20 0.39
PPARG P37231 1/20 0.39
HTR1A P08908 4/20 0.39
IDO1 P14902 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ADRA1A P35348 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL16952501 0.80 ABCB1 (0.48) HTR1AIDO1HCRTR1HCRTR2PDCD1
SCHEMBL20052962 0.76 ALDH1A1 (0.43) PTPN1PPARDALOX5PPARGHTR1A
SCHEMBL21816474 0.75 RPS6KA2 (0.40) PTPN1PPARDALOX5PPARGHTR1A
SCHEMBL2446603 0.74 MEN1 (0.34) PTPN1ADRA1APDCD1CD274MEN1
SCHEMBL17820 0.70 IDO1 (0.57) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL30829273 0.70 IDO1 (0.57) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL20052967 0.70 HTR1A (0.37) HTR1AMEN1KMT2AHTR2A
SCHEMBL21231927 0.70 HTR1A (0.39) HTR1AADRA1AMEN1KMT2AALDH1A1
SCHEMBL1029593 0.70 PDE4A (0.45) ALOX5IDO1PDCD1CD274PDE4A
SCHEMBL13486908 0.70 MEN1 (0.49) ALOX5IDO1PDCD1CD274PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751830-B2 Inhibitors of the tumor necrosis factor receptor complex THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-09-05 US disclosed
US-20150368187-A1 INHIBITORS OF THE TUMOR NECROSIS FACTOR RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-24 US disclosed
WO-2011115763-A1 INHIBITORS OF THE TUMOR NECROSIS FACTOR RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-09-22 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-20150368187-A1 INHIBITORS OF THE TUMOR NECROSIS FACTOR RECEPTOR COMPLEX TNFRSF1A, TNF, TNFRSF9 PTPN1 1681/4885PPARD 3049/4885ALOX5 281/4885

“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.