SCHEMBL6738004

SCHEMBL6738004

CCc1cc2cc3ccc(C)cc3cc2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
CYP1A2 P05177 3/20 0.42
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
PTPN1 P18031 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 3/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
MPL P40238 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL6738652 0.88 CYP2A6 (0.39) CYP2A6CYP1A2MAPTRXFP1TDP1
SCHEMBL6737013 0.85 CYP2A6 (0.37) CYP2A6CYP1A2MAPTRXFP1TDP1
SCHEMBL6735936 0.84 CYP1A2 (0.46) CYP2A6CYP1A2MAPTLMNAALDH1A1
SCHEMBL6735637 0.84 CYP2A6 (0.36) CYP2A6CYP1A2MAPTTDP1LMNA
SCHEMBL6736746 0.80 CNR1 (0.37) CYP2A6CYP1A2MAPTLMNAALDH1A1
SCHEMBL6731076 0.80 CYP1A2 (0.48) CYP2A6CYP1A2MAPTRXFP1TDP1
SCHEMBL6738485 0.80 CYP1A2 (0.48) CYP2A6CYP1A2MAPTRXFP1TDP1
SCHEMBL6731778 0.80 CYP1A2 (0.48) CYP2A6CYP1A2MAPTRXFP1TDP1
SCHEMBL6736335 0.78 SKP2 (0.36) CYP2A6CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL6731242 0.77 TLR8 (0.40)

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 80/4885MAPT 32/4885

“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.