SCHEMBL6003770

SCHEMBL6003770

CC(C)(C)c1ccc2c(c1)C(C(C1=CC=CC1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PNMT P11086 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
SCHEMBL645973 0.87 ALDH1A1 (0.35) KIF11
SCHEMBL6004788 0.82 TSHR (0.36)
SCHEMBL6693821 0.81 NPC1 (0.31)
SCHEMBL5006653 0.79 NPC1 (0.35) KIF11
SCHEMBL6695436 0.79 NPC1 (0.35)
SCHEMBL9230171 0.77 ALDH1A1 (0.33)
SCHEMBL18762042 0.77 ALDH1A1 (0.35) KIF11
Hydrochloric Acid SCHEMBL9232040 0.75 NPC1 (0.31)
SCHEMBL18261167 0.74 TSHR (0.36)
SCHEMBL18315289 0.73 TP53 (0.30)

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-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

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 KIF11 2300/4885CHRNB2 3725/4885CHRNA4 2772/4885

“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.