SCHEMBL6066102

SCHEMBL6066102

CCc1ccccc1C[NH2+]Cc1ccccc1CC.COc1c(F)c(F)c([B-](c2c(F)c(F)c(OC)c(F)c2F)(c2c(F)c(F)c(OC)c(F)c2F)c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 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
SCHEMBL6065044 0.97 KDM4E (0.31) KDM4EMEN1POLBKMT2AL3MBTL1
SCHEMBL6065234 0.93 L3MBTL1 (0.31) KDM4EL3MBTL1MAPTHPGDATM
SCHEMBL5703339 0.88 GABRA1 (0.32)
SCHEMBL6065758 0.87 CYP2C9 (0.35) KDM4ECYP2C9MAPTHPGD
SCHEMBL6064869 0.85 CYP2C9 (0.34) KDM4ECYP2C9MAPTHPGD
SCHEMBL6065898 0.83 KCNN4 (0.30)
SCHEMBL6065776 0.81
SCHEMBL6065022 0.80 PKM (0.33) MAPT
SCHEMBL6065597 0.80 KDM4E (0.33) KDM4ECYP2C9MAPTHPGD
SCHEMBL6065526 0.78 PKM (0.31) MAPT

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 KDM4E 2116/4885MEN1 61/4885POLB 1086/4885

“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.