SCHEMBL13664925

SCHEMBL13664925

Cc1cc(C(=O)c2ccc(F)c(F)c2)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VNN1 O95497 5/20 0.40
RXRA P19793 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 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
SCHEMBL13664921 0.86 CES2 (0.53) CES2CES1VNN1MEN1KMT2A
SCHEMBL13991056 0.83 CES2 (0.57) CES2CES1HSD17B1HSD17B2HTT
SCHEMBL7967901 0.78 CES2 (0.73) CES2CES1HSD17B1HSD17B2VNN1
SCHEMBL8074703 0.78 CES2 (0.52) CES2CES1HSD17B1HSD17B2VNN1
SCHEMBL4355959 0.77 SMN1; SMN2 (0.53) CES2CES1HSD17B1HSD17B2HTT
SCHEMBL1002846 0.76 CES2 (0.53) CES2CES1HSD17B1HSD17B2VNN1
SCHEMBL1909365 0.75 PKM (0.61) HSD17B1HTTSMN1; SMN2MAOBKMT2A
SCHEMBL8845773 0.75 ALDH1A1 (0.64) CES2CES1HSD17B1HSD17B2HTT
SCHEMBL4549023 0.75 ACE2 (0.53) SMN1; SMN2RXRAMEN1KMT2A
SCHEMBL13664918 0.75 CES2 (0.44) CES2CES1HSD17B1HSD17B2VNN1

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 758/4885HSD17B1 104/4885

“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.