SCHEMBL6731314

SCHEMBL6731314

CCCC1CCc2cc3c(F)cc(F)cc3cc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.41
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
S1PR3 Q99500 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL6741150 0.85 FYN (0.40) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6738851 0.85 FYN (0.40) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6731272 0.81 FYN (0.35) FYNHTR1DHTR1B
SCHEMBL6739255 0.81 FYN (0.39) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6740666 0.80 FYN (0.38) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6731491 0.79 FYN (0.35) FYN
SCHEMBL6740421 0.77 CYP3A4 (0.37) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6737916 0.77 CYP3A4 (0.37) FYNHTR1DHTR1BCYP3A4CYP2C8
SCHEMBL6738272 0.77 CYP3A4 (0.35) FYNCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL6735224 0.77 FYN (0.33) FYNCYP3A4CYP2C8S1PR3CYP2D6

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 FYN 2215/4885HTR1D 1756/4885HTR1B 1469/4885

“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.