SCHEMBL6065758

SCHEMBL6065758

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.Cc1ccccc1C[NH2+]Cc1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
CHRM2 P08172 1/20 0.31
CYP26A1 O43174 1/20 0.30
CYP24A1 Q07973 1/20 0.30
NPBWR1 P48145 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 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
SCHEMBL6064869 0.97 CYP2C9 (0.34) CYP2C9KDM4EGAAMAPTHPGD
SCHEMBL6065597 0.93 KDM4E (0.33) CYP2C9KDM4EGAAMAPTHPGD
SCHEMBL410284 0.88 TAAR1 (0.36) TAAR1CHRM2
SCHEMBL6066102 0.87 KDM4E (0.32) CYP2C9KDM4EMAPTHPGD
SCHEMBL6064943 0.85 TAAR1 (0.34) TAAR1CHRM2
SCHEMBL6065044 0.84 KDM4E (0.31) KDM4E
SCHEMBL6066110 0.82 TAAR1 (0.33) TAAR1
SCHEMBL6066082 0.81 TAAR1 (0.37) TAAR1ALDH1A1
SCHEMBL6065234 0.80 L3MBTL1 (0.31) KDM4EMAPTHPGD
SCHEMBL6066101 0.78 TAAR1 (0.35) TAAR1

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 CYP2C9 889/4885KDM4E 2116/4885GAA 3184/4885

“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.