SCHEMBL13624065

SCHEMBL13624065

COCCOc1ccc(C(C)(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
NR1H4 Q96RI1 2/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
INPPL1 O15357 1/20 0.39
HTR2A P28223 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL13624072 0.87 HTT (0.43) MAPK1LMNACYP3A4HTTCA12
SCHEMBL21718856 0.83 FBP1 (0.36) MAPK1LMNAHTTCA1CA2
SCHEMBL13624143 0.83 NQO1 (0.45) NR1H4EPHX2LMNATP53CYP3A4
SCHEMBL13624071 0.81 LMNA (0.36) MAPK1NR1H4EPHX2LMNATP53
SCHEMBL10176664 0.81 PDIA6 (0.41) MAPK1LMNAHPGDHTTALDH1A1
SCHEMBL13624073 0.80 PDIA6 (0.39) NR1H4EPHX2MRGPRX4ALDH1A1LPAR1
SCHEMBL21718422 0.80 MAOA (0.36) MAPK1LMNAINPPL1HTTMAOA
SCHEMBL21718948 0.80 LMNA (0.40) MAPK1LMNAHTTALDH1A1MAOA
SCHEMBL15958889 0.80 ALDH1A1 (0.39) MAPK1LMNAHTTALDH1A1MAOA
SCHEMBL21718946 0.80 BRD4 (0.40) MAPK1LMNAHTTMAOADYRK1A

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 MAPK1 780/4885NR1H4 2500/4885EPHX2 2557/4885

“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.