SCHEMBL6737013

SCHEMBL6737013

CCCCc1cc2cc3ccc(C)cc3cc2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 2/20 0.37
TYR P14679 1/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6735637 0.96 CYP2A6 (0.36) CYP2A6CYP1A2TYRMAPTHTT
SCHEMBL6738652 0.91 CYP2A6 (0.39) CYP2A6CYP1A2MAPTTDP1ALDH1A1
SCHEMBL6736893 0.86 TLR8 (0.39) TYRTLR8
SCHEMBL6738004 0.85 CYP2A6 (0.42) CYP2A6CYP1A2MAPTTDP1ALDH1A1
SCHEMBL6736312 0.84 CYP1A2 (0.40) CYP2A6CYP1A2TYRTLR8
SCHEMBL6731332 0.84 TLR8 (0.35) TYRTLR8
SCHEMBL6731773 0.83 TLR8 (0.42) TLR8ADORA3ALDH1A1KDM4ELMNA
SCHEMBL6732184 0.83 TLR8 (0.42) TLR8ADORA3ALDH1A1KDM4ELMNA
SCHEMBL6741609 0.82 SKP2 (0.36) TLR8
SCHEMBL6734816 0.82 TLR8 (0.43) TLR8ADORA3ALDH1A1KDM4ELMNA

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 CYP2A6 1066/4885CYP1A2 80/4885TYR 1045/4885

“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.