SCHEMBL17356333

SCHEMBL17356333

O=C(CCC(=O)Oc1cc(C(F)(F)F)ccc1F)Oc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
IDO1 P14902 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PDE2A O00408 3/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CES2 O00748 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17356457 0.84 KDM4E (0.49) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL17356438 0.82 KDM4E (0.48) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL4976918 0.81 CYP2C19 (0.67) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL17356421 0.80 GAA (0.46) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL17356424 0.78 CYP2C19 (0.39) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL17356507 0.78 KDM4E (0.47) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL17355814 0.76 KDM4E (0.46) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL5539193 0.75 PTGDR2 (0.61) PTGDR2
SCHEMBL1991905 0.75 CYP2C19 (0.48) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL23519075 0.75 KDM4E (0.46) ALDH1A1CYP2C19KDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 ALDH1A1 1059/4885CYP2C19 2227/4885KDM4E 1067/4885

“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.