SCHEMBL6065601

SCHEMBL6065601

Cc1cccc(C[NH+](C(C)C)C(C)C)c1.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 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
ACHE P22303 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GBA1 P04062 1/20 0.31
MAOB P27338 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
SCHEMBL6065926 0.87 PTGS2 (0.34) IDO1
SCHEMBL6065921 0.83 TAAR1 (0.34) TAAR1IDO1ALDH1A1CYP2D6ACHE
SCHEMBL6065644 0.83 KAT6A (0.31)
SCHEMBL5703411 0.83 TAAR1 (0.34) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6065730 0.81 LPL (0.34)
SCHEMBL6064948 0.81 TAAR1 (0.37) TAAR1IDO1ALDH1A1CYP2D6ACHE
SCHEMBL6064936 0.77
SCHEMBL6064894 0.77 KDM4E (0.35) ALDH1A1SLC6A2SLC6A4KDM4EHTT
SCHEMBL6065546 0.75 HTT (0.31) HTT
SCHEMBL6065810 0.74 TAAR1 (0.33) TAAR1SLC6A2SLC6A4SLC6A3

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 TAAR1 1511/4885IDO1 1961/4885ALDH1A1 1134/4885

“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.