SCHEMBL6731332

SCHEMBL6731332

CCCCc1cc2cc3ccc(CCC)cc3cc2c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
BDKRB2 P30411 1/20 0.34
TYR P14679 1/20 0.33
SKP2 Q13309 1/20 0.33
ALOX5 P09917 1/20 0.32
PTPN1 P18031 1/20 0.32
HTR1A P08908 1/20 0.32
BCHE P06276 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
NCEH1 Q6PIU2 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
SCHEMBL6735447 0.96 TLR8 (0.40) TLR8CNR1CNR2BDKRB2TYR
SCHEMBL6736893 0.96 TLR8 (0.39) TLR8BDKRB2TYRSKP2HTR1A
SCHEMBL6741609 0.94 SKP2 (0.36) TLR8BDKRB2SKP2ALOX5HTR1A
SCHEMBL6732184 0.93 TLR8 (0.42) TLR8BDKRB2SKP2HTR1A
SCHEMBL6731773 0.93 TLR8 (0.42) TLR8BDKRB2SKP2HTR1A
SCHEMBL6734816 0.92 TLR8 (0.43) TLR8BDKRB2HTR1A
SCHEMBL6736312 0.92 CYP1A2 (0.40) TLR8BDKRB2TYRPTPN1BCHE
SCHEMBL6731904 0.90 TLR8 (0.40) TLR8BDKRB2HTR1A
SCHEMBL6736335 0.89 SKP2 (0.36) TLR8BDKRB2SKP2HTR1ABCHE
SCHEMBL6736746 0.89 CNR1 (0.37) CNR1CNR2ALOX5NCEH1

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-6682785-B2 A FLUOROANTHRACENE COMPOUNDS; HEAT RESISTANCE, RADIATION RESISTANCE, PHOTOSTABILITY CLARIANT FINANCE (BVI) LIMITED (VG) 2004-01-27 US disclosed
US-20030118749-A1 A fluoroanthracene compounds; heat resistance, radiation resistance, photostability CLARIANT INTERNATIONAL LTD. 2003-06-26 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-20030118749-A1 A fluoroanthracene compounds; heat resistance, radiation resistance, photostability HSF1, ABCC1, FLNA TLR8 3408/4885CNR1 2742/4885CNR2 3959/4885

“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.