SCHEMBL1333113

SCHEMBL1333113

O=C(O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C(=O)O)cc1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.44
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
KCNJ11 Q14654 5/20 0.35
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ8 Q15842 2/20 0.33

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
SCHEMBL1333892 0.93 ASPH (0.43) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13199122 0.86 NOTUM (0.40) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1332194 0.82 KDM4E (0.44) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL13199192 0.81 RXRB (0.41) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1332657 0.81 KDM4E (0.43) ASPHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1332783 0.79 ASPH (0.33) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1333169 0.79 ASPH (0.33) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3036944 0.78 ASPH (0.59) ASPHKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3792993 0.77 ALDH1A1 (0.50) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL15957875 0.77 RXRB (0.41) ASPHKDM4ESMN1; SMN2HSD17B10ALDH1A1

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 741/4885KDM4E 2227/4885SMN1; 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.