SCHEMBL12401835

SCHEMBL12401835

COc1cc(CO)c(C)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
ALOX15 P16050 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EPHX2 P34913 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
SCHEMBL1542560 0.81 HTR2A (0.50) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL12401842 0.81 HTR2A (0.50) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL12736224 0.79 PDE4A (0.52) HTR2AALOX15CYP3A4PDE4APDE4B
SCHEMBL12401837 0.79 CYP2C9 (0.41) ALOX15LMNATP53CYP3A4CA1
SCHEMBL18561590 0.79 HTR2A (0.47) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL12224029 0.78 LMNA (0.57) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL12401770 0.77 LMNA (0.55) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL19337383 0.77 LMNA (0.61) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL15044110 0.76 ALOX15 (0.66) HTR2AALOX15LMNATP53CYP3A4
SCHEMBL14437632 0.75 PDE4A (0.52) ALOX15LMNAPDE4APDE4BPDE4C

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-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HTR2A 3271/4885ALOX15 3225/4885LMNA 2850/4885

“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.