SCHEMBL6731272

SCHEMBL6731272

CCCC1CCc2cc3c(F)c(C#N)c(F)cc3cc2C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL6735292 0.93 CYP3A4 (0.34)
SCHEMBL6731761 0.92 CYP3A4 (0.37)
SCHEMBL6731911 0.91 TP53 (0.31)
SCHEMBL6738851 0.85 FYN (0.40) FYNHTR1DHTR1B
SCHEMBL6741150 0.85 FYN (0.40) FYNHTR1DHTR1B
SCHEMBL6731314 0.81 FYN (0.41) FYNHTR1DHTR1B
SCHEMBL6739255 0.79 FYN (0.39) FYNHTR1DHTR1B
SCHEMBL7782680 0.79 ALDH1A1 (0.39) FYNALDH1A1HTR1DHTR1B
SCHEMBL6731491 0.79 FYN (0.35) FYN
SCHEMBL6737916 0.78 CYP3A4 (0.37) FYNHTR1DHTR1B

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 2215/4885ALDH1A1 298/4885HTR1D 1756/4885

“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.