SCHEMBL6065263

SCHEMBL6065263

CCCCc1ccccc1C[NH+](C(C)C)C(C)C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6065716 0.92
SCHEMBL6065546 0.87 HTT (0.31)
SCHEMBL6065233 0.85 TYR (0.33)
SCHEMBL6066073 0.84 LIPG (0.31) LIPG
Ammonia Solution, Strong SCHEMBL30387130 0.84 LIPG (0.40) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL6065827 0.83 LIPG (0.33) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL6065810 0.80 TAAR1 (0.33)
SCHEMBL6065730 0.79 LPL (0.34) LIPG
SCHEMBL6065477 0.78 NPC1 (0.33) CYP3A4
SCHEMBL4730366 0.77 LIPG (0.35) LIPGCYP3A4CYP2D6CYP2C9

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-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 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-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 LIPG 4565/4885CYP3A4 262/4885CYP2D6 1352/4885

“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.