SCHEMBL9999407

SCHEMBL9999407

COOC(=O)C(F)(OC)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL5960637 0.80 ALDH1A1 (0.39) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2152882 0.80 TSHR (0.34) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8007543 0.74
SCHEMBL12733084 0.73 ALDH1A1 (0.40) TSHRNPSR1KDM4EHSD17B10MEN1
SCHEMBL569197 0.72 TSHR (0.35) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL13108981 0.72 TSHR (0.35) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2152884 0.71 TSHR (0.30) TSHRNPSR1
SCHEMBL28481264 0.70 TSHR (0.34) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14530109 0.70 TSHR (0.34) TSHRNPSR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9402444 0.68 DGAT1 (0.34) MEN1LMNAMAPTKMT2A

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-9452987-B2 Five-membered cyclic anion use thereof as an electrolyte CENTRE NAT RECH SCIENT (FR) 2016-09-27 US disclosed
US-20150315155-A1 FIVE-MEMBERED CYCLIC ANION USE THEREOF AS AN ELECTROLYTE CENTRE NAT RECH SCIENT (FR) 2015-11-05 US disclosed
US-8927160-B2 Pentacyclic anion salt and use thereof as an electrolyte CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-01-06 US disclosed
US-20110311884-A1 PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE UNIVERSITE DE PICARDIE JULES VERNE (FR) 2011-12-22 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 (2 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-20110311884-A1 PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE AFF1, SLCO4C1, F9 TSHR 1923/4885NPSR1 1329/4885KDM4E 3600/4885
US-20150315155-A1 FIVE-MEMBERED CYCLIC ANION USE THEREOF AS AN ELECTROLYTE KCNA5, SLCO4C1, AFF1 TSHR 2779/4885NPSR1 2201/4885KDM4E 2771/4885

“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.