SCHEMBL6064932

SCHEMBL6064932

CCC[N+](C)(C)C1CCCCC1.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 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.33
SPHK1 Q9NYA1 7/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
BBOX1 O75936 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
SCHEMBL6065745 0.91 BBOX1 (0.36) SPHK2SPHK1CHRNB4CHRNA3CHRNA7
SCHEMBL6064884 0.88
SCHEMBL6065534 0.88 SPHK1 (0.36) SPHK2SPHK1CHRNB4CHRNA3CHRNA7
SCHEMBL6065243 0.86
SCHEMBL6065134 0.81 CYP1A2 (0.31)
SCHEMBL28435575 0.80 BBOX1 (0.42) SPHK2SPHK1CHRNB4CHRNA3CHRNA7
SCHEMBL6065701 0.80 CYP1A2 (0.30)
SCHEMBL6066199 0.80 CYP1A2 (0.30)
SCHEMBL6065713 0.80
SCHEMBL6064999 0.80

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 SPHK2 3081/4885SPHK1 2727/4885CHRNB4 3338/4885

“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.