SCHEMBL12401770

SCHEMBL12401770

COc1cc(OC)c(C(C)(C)C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HTR2A P28223 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL12388583 0.91 LMNA (0.61) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12224029 0.88 LMNA (0.57) LMNATP53CYP3A4HPGDALOX15
SCHEMBL31589074 0.86 LMNA (0.45) LMNATP53CYP3A4HPGDALOX15
SCHEMBL19337383 0.86 LMNA (0.61) LMNATP53CYP3A4HPGDALOX15
SCHEMBL11436543 0.86 LMNA (0.45) LMNATP53CYP3A4HPGDALOX15
SCHEMBL92809 0.85 CYP3A4 (0.64) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12781654 0.83 CYP3A4 (0.68) LMNATP53CYP3A4HPGDALOX15
SCHEMBL398164 0.83 CYP3A4 (0.74) LMNATP53CYP3A4HPGDALOX15
SCHEMBL85484 0.82 LMNA (0.55) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12390561 0.82 LMNA (0.50) LMNATP53CYP3A4HPGDALOX15

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-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (3 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 LMNA 2814/4885TP53 396/4885CYP3A4 219/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 LMNA 2814/4885TP53 396/4885CYP3A4 219/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885TP53 435/4885CYP3A4 158/4885

“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.