SCHEMBL13624074

SCHEMBL13624074

COc1cc(OC(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RUNX1 Q01196 2/20 0.41
GPR3 P46089 2/20 0.41
GRIN2B Q13224 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
P2RY1 P47900 1/20 0.39
ALPL P05186 2/20 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
SCHEMBL13168028 0.86 ALDH1A1 (0.53) LMNATP53CYP3A4HPGDALOX15
SCHEMBL20794106 0.83 P2RY1 (0.45) GPR3ALDH1A1GAAP2RY1
SCHEMBL31525792 0.83 CA1 (0.58) LMNATP53CYP3A4HPGDALOX15
SCHEMBL799917 0.83 CA1 (0.58) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12422184 0.81 CA12 (0.61) RUNX1GPR3CA12CA1CA2
SCHEMBL13141415 0.79 GPR3 (0.44) LMNATP53CYP3A4ALOX15GPR3
SCHEMBL17354117 0.79 PPARA (0.41) GPR3GAAP2RY1
SCHEMBL13624075 0.78 MRGPRX4 (0.45) LMNATP53CYP3A4HPGDALOX15
SCHEMBL14155817 0.78 PDE2A (0.45) LMNATP53CYP3A4ALOX15GPR3
SCHEMBL13439935 0.78 GPR3 (0.44) LMNATP53CYP3A4ALOX15GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF LMNA 4790/4885TP53 147/4885CYP3A4 1650/4885

“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.