SCHEMBL13698651

SCHEMBL13698651

COC(=O)CCC(C=O)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.45
FFAR1 O14842 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 6/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GPR34 Q9UPC5 1/20 0.41

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
SCHEMBL19432046 0.84 AR (0.52) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL19432044 0.83 AR (0.41) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL4745611 0.78 MEN1 (0.52) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL14068553 0.78 MEN1 (0.52) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL14261153 0.77 LTA4H (0.52) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL19432178 0.77 MAPT (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL19431937 0.77 NPC1 (0.37) ALDH1A1MEN1KMT2AFFAR1NPC1
SCHEMBL4742525 0.75 MEN1 (0.49) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL16812550 0.75 GRIN1 (0.37) ARALDH1A1MEN1KMT2ARECQL
SCHEMBL13240329 0.75 GRIN1 (0.37) ARALDH1A1MEN1KMT2ARECQL

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-20090227786-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE MEDICHEM S.A. (ES) 2009-09-10 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-20090227786-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE PCSK9, HMGCR, NPC1L1 AR 3616/4885ALDH1A1 257/4885MEN1 1931/4885

“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.