SCHEMBL13624095

SCHEMBL13624095

COc1cnc(C(C)(C)C)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 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
SCHEMBL17877840 0.82 CA1 (0.41) CA1CA2ALDH1A1CYP3A4HPGD
SCHEMBL25791601 0.80 ACHE (0.40) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL22949457 0.80 CA1 (0.53) CA1CA2ALDH1A1CYP3A4CYP1A2
SCHEMBL20047571 0.80 TDO2 (0.37) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL21718943 0.80 CA1 (0.39) CA1CA2ALDH1A1KDM4ECYP1A1
SCHEMBL21718945 0.78 TAAR1 (0.40) CA1CA2ALDH1A1CYP1A2CYP1A1
SCHEMBL21718904 0.78 CA1 (0.38) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL20047548 0.76 PTGS2 (0.46) CA2ALDH1A1PDGFRBPDGFRATUBB1
SCHEMBL21718833 0.76 CA1 (0.36) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL25878581 0.76 CA1 (0.36) CA1CA2ALDH1A1CYP1A1CYP1B1

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 CA1 52/4885CA2 70/4885CA12 214/4885

“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.