SCHEMBL1333905

SCHEMBL1333905

O=C(O)c1cc(C(=O)O)c(C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ASPH Q12797 1/20 0.33
KCNJ11 Q14654 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
KDM4E B2RXH2 4/20 0.32
HCAR1 Q9BXC0 1/20 0.32
TPMT P51580 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
CA3 P07451 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
SCHEMBL1333169 0.79 ASPH (0.33) SMN1; SMN2ASPHKCNJ11KDM4EALDH1A1
SCHEMBL1332194 0.79 KDM4E (0.44) SMN1; SMN2KCNJ11CA12CA1CA2
SCHEMBL1332005 0.78 CA12 (0.37) SMN1; SMN2KCNJ11CA12CA1CA2
SCHEMBL1334196 0.77 ALDH1A1 (0.36) SMN1; SMN2ASPHCA12CA1CA2
SCHEMBL1332657 0.77 KDM4E (0.43) SMN1; SMN2ASPHKCNJ11CA12CA1
SCHEMBL1332783 0.76 ASPH (0.33) SMN1; SMN2ASPHKCNJ11KDM4EALDH1A1
SCHEMBL1333113 0.75 ASPH (0.44) SMN1; SMN2ASPHKCNJ11KDM4EALDH1A1
SCHEMBL1334376 0.74 KDM4E (0.38) SMN1; SMN2ASPHKDM4EALDH1A1HPGD
SCHEMBL1333892 0.74 ASPH (0.43) SMN1; SMN2ASPHKCNJ11KDM4EALDH1A1
SCHEMBL14593363 0.73 KCNJ11 (0.41) SMN1; SMN2KCNJ11CA12CA1CA2

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 2624/4885ASPH 741/4885KCNJ11 2940/4885

“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.