SCHEMBL13624073

SCHEMBL13624073

COc1cc(OCCS(C)(=O)=O)ccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.39
MCHR1 Q99705 6/20 0.39
PTGS2 P35354 1/20 0.38
PDE4B Q07343 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 1/20 0.36
RAPGEF3 O95398 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACB O00763 1/20 0.35
LPAR1 Q92633 1/20 0.35

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
SCHEMBL16480614 0.81 PDE4B (0.43) PDIA6MCHR1PTGS2PDE4B
SCHEMBL12970780 0.81 ALDH1A1 (0.54) PDIA6MCHR1PTGS2PDE4BALDH1A1
SCHEMBL13624065 0.80 MAPK1 (0.41) MRGPRX4NR1H4EPHX2ALDH1A1LPAR1
SCHEMBL13634528 0.79 MAPT (0.43) MCHR1PTGS2PDE4B
SCHEMBL15180036 0.79 CA1 (0.39) MCHR1PTGS2PDE4BALDH1A1
SCHEMBL9957748 0.77 ALDH1A1 (0.59) NR1H4EPHX2ALDH1A1LPAR1
SCHEMBL13889421 0.77 MEN1 (0.44) MCHR1PTGS2PDE4B
SCHEMBL13624143 0.77 NQO1 (0.45) MRGPRX4NR1H4EPHX2ALDH1A1
SCHEMBL13624071 0.75 LMNA (0.36) MRGPRX4NR1H4EPHX2ALDH1A1LPAR1
SCHEMBL12970679 0.75 PARP15 (0.55) PDE4BALDH1A1

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 2 patents. 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
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 PDIA6 814/4885MCHR1 4718/4885PTGS2 878/4885

“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.