SCHEMBL13664920

SCHEMBL13664920

O=C(c1ccc(F)c(F)c1)c1ccc(CO)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SRD5A2 P31213 1/20 0.47
VNN1 O95497 4/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CHRNA7 P36544 2/20 0.38
ACHE P22303 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36

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
SCHEMBL13664918 0.88 CES2 (0.44) CES2CES1SRD5A2VNN1CYP4F2
SCHEMBL1002846 0.83 CES2 (0.53) CES2CES1VNN1CYP4F2CYP4A11
SCHEMBL1426328 0.79 CES2 (0.48) CES2CES1VNN1CYP4F2CYP4A11
SCHEMBL93021 0.78 CYP4F2 (0.50) CES2CES1CYP4F2CYP4A11MAOA
SCHEMBL1004288 0.78 SRD5A2 (0.43) CES2CES1SRD5A2CYP4F2CYP4A11
SCHEMBL542783 0.77 PRKAB2 (0.49) CES2CES1SRD5A2CYP4F2CYP4A11
SCHEMBL7967901 0.74 CES2 (0.73) CES2CES1VNN1HSD17B14
SCHEMBL31413134 0.74 DGAT1 (0.56) CES2CES1CYP4F2CYP4A11MAOB
SCHEMBL4048125 0.74 MAOB (0.54) CES2CES1CYP4F2CYP4A11MAOA
SCHEMBL1534957 0.74 VNN1 (0.49) CES2CES1VNN1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 CES2 1262/4885CES1 758/4885SRD5A2 78/4885

“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.