SCHEMBL6738267

SCHEMBL6738267

CCCCCC1CCc2cc3cc(C)c(F)c(F)c3cc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR1 P21453 6/20 0.35
SGPL1 O95470 3/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CYP1A2 P05177 1/20 0.33
FYN P06241 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
SCHEMBL6735870 0.96 CYP3A4 (0.36) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6739255 0.91 FYN (0.39) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6738550 0.89 CYP3A4 (0.41) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6734343 0.87 CYP3A4 (0.40) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6741557 0.86 MAPT (0.32)
SCHEMBL6735986 0.86 CYP3A4 (0.41) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6736586 0.86 CYP3A4 (0.41) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6737466 0.86 CYP3A4 (0.41) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6740421 0.85 CYP3A4 (0.37) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6737916 0.85 CYP3A4 (0.37) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9

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 CYP3A4 411/4885CYP2C8 218/4885S1PR3 4480/4885

“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.