SCHEMBL5084054

SCHEMBL5084054

CC(C)(C)c1ccc2c(c1)C([Si](Cl)(C1CCCCC1)C1CCCCC1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HPGD P15428 2/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL18071854 0.83 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19NR1H2NR1H3
SCHEMBL6435462 0.77 ALDH1A1 (0.38) CYP1A2CYP2C19ALDH1A1RAB9ANPC1
SCHEMBL5079596 0.76 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19
SCHEMBL44940 0.73 ALDH1A1 (0.40) CYP1A2CYP2C19ALDH1A1RAB9ANPC1
SCHEMBL8373775 0.71 ALDH1A1 (0.44) CYP2D6ALDH1A1RAB9ANPC1PLA2G1B
SCHEMBL30360108 0.68 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C19ALDH1A1RAB9A
SCHEMBL7071212 0.68 ALDH1A1 (0.39) CYP1A2CYP2C19ALDH1A1RAB9ANPC1
SCHEMBL16167207 0.67 MAPT (0.34) ALDH1A1RAB9ANPC1PLA2G1BNFKB1
SCHEMBL9754019 0.67 ALDH1A1 (0.44) CYP1A2CYP2D6CYP2C19ALDH1A1RAB9A
SCHEMBL30438243 0.67 ALDH1A1 (0.44) CYP1A2CYP2D6CYP2C19ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511305-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-10-17 EP disclosed
EP-2465879-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-06-20 EP disclosed
EP-2465878-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-06-20 EP disclosed
US-7393965-B2 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2006-07-20 US disclosed
EP-1548018-A1 CROSSLINKED METALLOCENE COMPOUND FOR OLEFIN POLYMERIZATION AND METHOD OF POLYMERIZING OLEFIN WITH THE SAME Mitsui Chemicals, Inc. (JP) 2005-06-29 EP 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-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same PCNA, MACF1, PIN1 CYP1A2 835/4885CYP2D6 2460/4885CYP2C19 1376/4885

“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.