SCHEMBL13664918

SCHEMBL13664918

Cc1cc(CO)ccc1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SRD5A2 P31213 2/20 0.43
VNN1 O95497 3/20 0.41
PTGER4 P35408 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CHRNA7 P36544 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ACHE P22303 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13664920 0.88 CES2 (0.47) CES2CES1CYP4F2CYP4A11SRD5A2
SCHEMBL1002846 0.80 CES2 (0.53) CES2CES1CYP4F2CYP4A11VNN1
SCHEMBL1426328 0.76 CES2 (0.48) CES2CES1CYP4F2CYP4A11VNN1
SCHEMBL13664925 0.75 CES2 (0.47) CES2CES1VNN1MAOAMAOB
SCHEMBL2093205 0.74 CYP4F2 (0.50) CYP4F2CYP4A11PTGER4ACHEHDAC1
SCHEMBL1627397 0.73 NR1H4 (0.51) CYP4F2CYP4A11SRD5A2PTGER4
SCHEMBL13991056 0.73 CES2 (0.57) CES2CES1VNN1HSD17B1HSD17B2
SCHEMBL15238379 0.73 CYP4F2 (0.46) CYP4F2CYP4A11SRD5A2MAOAMAOB
SCHEMBL1004288 0.72 SRD5A2 (0.43) CES2CES1CYP4F2CYP4A11SRD5A2
SCHEMBL7967901 0.72 CES2 (0.73) CES2CES1VNN1HSD17B1HSD17B2

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 758/4885CYP4F2 723/4885

“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.