SCHEMBL1333749

SCHEMBL1333749

O=C(O)c1c(C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c(C(=O)O)c(C(O)(C(F)(F)F)C(F)(F)F)c1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
NR1H3 Q13133 2/20 0.30
NR1H2 P55055 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
SCHEMBL1332635 0.95
SCHEMBL11741822 0.87 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL15957864 0.81 AR (0.32) SMN1; SMN2NR1H3NR1H2
SCHEMBL11745002 0.78 ALDH1A1 (0.34) SMN1; SMN2CYP1A2
SCHEMBL1334127 0.78 GLRA3 (0.38) SMN1; SMN2
SCHEMBL1332783 0.77 ASPH (0.33) SMN1; SMN2
SCHEMBL1333169 0.77 ASPH (0.33) SMN1; SMN2
SCHEMBL9142308 0.75 GPR35 (0.38) SMN1; SMN2CYP1A2
SCHEMBL1332868 0.73 CYP1A2 (0.44) SMN1; SMN2CYP1A2NR1H3NR1H2
SCHEMBL1332638 0.72 KCNJ11 (0.35) SMN1; SMN2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304508-B2 Fluorine-containing dicarboxylic acids and their novel polymer compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110282026-A1 Fluorine-Containing Dicarboxylic Acids and Their Novel Polymer Compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2011-11-17 US disclosed
US-8003749-B2 Fluorine-containing dicarboxylic acids and their novel polymer compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20090030173-A1 NOVEL FLUORINE-CONTAINING DICARBOXYLIC ACIDS AND THEIR NOVEL POLYMER COMPOUNDS CENTRAL GLASS COMPANY, LIMITED (JP) 2009-01-29 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-20090030173-A1 NOVEL FLUORINE-CONTAINING DICARBOXYLIC ACIDS AND THEIR NOVEL POLYMER COMPOUNDS AFF1, ODC1, DDC SMN1; SMN2 2624/4885CYP1A2 2198/4885NR1H3 4052/4885

“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.