SCHEMBL6065036

SCHEMBL6065036

CCc1cccc(C[NH+](CC)CC)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 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.33
KDM1A O60341 1/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MGLL Q99685 1/20 0.31
KAT6A Q92794 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
NOTUM Q6P988 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL6064948 0.88 TAAR1 (0.37) IDO1CYP1A2
SCHEMBL6065913 0.87 LPL (0.35)
SCHEMBL6066098 0.87
SCHEMBL6064857 0.85 PTGS2 (0.33) BCL2KDM1AMGLLPTGS2
SCHEMBL5703343 0.85 TP53 (0.39) TP53
SCHEMBL6064907 0.83 LMNA (0.35) TP53CYP2A6
SCHEMBL6065614 0.82 TP53 (0.39) TP53
SCHEMBL6065926 0.82 PTGS2 (0.34) BCL2KDM1AIDO1NISCHPTGS2
SCHEMBL6065890 0.79
SCHEMBL6065528 0.79 TP53 (0.37) TP53

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 BCL2 3892/4885KDM1A 2142/4885IDO1 1961/4885

“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.