SCHEMBL14788404

SCHEMBL14788404

CCOC(=O)/C=C(\O)c1cc(F)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.47
GPR139 Q6DWJ6 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 2/20 0.34
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TPMT P51580 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL12789001 0.90 TPMT (0.42) XPO1NPSR1MAPTALDH1A1HCAR2
SCHEMBL12596927 0.86 XPO1 (0.41) XPO1GPR139NPSR1TAS1R3TAS1R1
SCHEMBL1160698 0.85 XPO1 (0.40) XPO1GPR139NPSR1TAS1R3TAS1R1
SCHEMBL12596917 0.78 LMNA (0.45) MAPTALDH1A1HCAR2LMNAKMT2A
SCHEMBL12596939 0.75 MAPT (0.43) XPO1NPSR1MAPTALDH1A1LMNA
SCHEMBL13948376 0.74 XPO1 (0.48) XPO1NPSR1MAPTALDH1A1HCAR2
SCHEMBL18143858 0.74 NPSR1 (0.42) XPO1NPSR1MAPTALDH1A1HCAR2
SCHEMBL31294458 0.74 XPO1 (0.48) XPO1NPSR1MAPTALDH1A1HCAR2
SCHEMBL1765010 0.74 MAPT (0.42) XPO1NPSR1MAPTALDH1A1LMNA
SCHEMBL29699529 0.73 NPSR1 (0.46) NPSR1MAPTLMNAMEN1CYP1A2

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-20130072531-A1 SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT AICURIS GMBH & CO. KG (DE) 2013-03-21 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-20130072531-A1 SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT SORD, SUDS3, SUPT16H XPO1 1388/4885GPR139 3755/4885NPSR1 3565/4885

“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.