SCHEMBL1333169

SCHEMBL1333169

O=C(O)c1cc(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)c1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.33
KCNJ11 Q14654 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1332783 0.86 ASPH (0.33) ASPHKCNJ11SMN1; SMN2KDM4ENOTUM
SCHEMBL1332638 0.79 KCNJ11 (0.35) KCNJ11SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1333905 0.79 SMN1; SMN2 (0.34) ASPHKCNJ11SMN1; SMN2KDM4ENOTUM
SCHEMBL1333113 0.79 ASPH (0.44) ASPHKCNJ11SMN1; SMN2KDM4ENOTUM
SCHEMBL11745002 0.78 ALDH1A1 (0.34) ASPHSMN1; SMN2KDM4ENOTUMALDH1A1
SCHEMBL1334127 0.78 GLRA3 (0.38) ASPHKCNJ11SMN1; SMN2KDM4EHSD17B10
SCHEMBL1334196 0.77 ALDH1A1 (0.36) ASPHSMN1; SMN2KDM4ENOTUMALDH1A1
SCHEMBL1333749 0.77 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL1334376 0.74 KDM4E (0.38) ASPHSMN1; SMN2KDM4ENOTUMALDH1A1
SCHEMBL1333892 0.74 ASPH (0.43) ASPHKCNJ11SMN1; SMN2KDM4ENOTUM

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 ASPH 741/4885KCNJ11 2940/4885SMN1; SMN2 2624/4885

“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.