SCHEMBL6731076

SCHEMBL6731076

Cc1ccc2cc3cc(C)c(F)c(F)c3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.48
CYP2A6 P11509 6/20 0.48
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.33
NCK1 P16333 1/20 0.32
BACE1 P56817 1/20 0.32
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL6738485 0.85 CYP1A2 (0.48) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL6731778 0.85 CYP1A2 (0.48) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL170462 0.84 CYP1A2 (0.47) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL6738004 0.80 CYP2A6 (0.42) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL6736855 0.80 CYP1A2 (0.46) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL6738652 0.77 CYP2A6 (0.39) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL6741865 0.77 CNR1 (0.38) CYP1A2CYP2A6GAAMEN1KMT2A
SCHEMBL11576428 0.77 CYP1A2 (0.52) CYP1A2CYP2A6TDP1LMNAALDH1A1
SCHEMBL20370618 0.77 ALDH1A1 (0.36) CYP1A2LMNAALDH1A1KDM4EGAA
SCHEMBL11578182 0.76 CYP1A2 (0.56) CYP1A2CYP2A6TDP1LMNAALDH1A1

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 CYP1A2 80/4885CYP2A6 1066/4885TDP1 732/4885

“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.