SCHEMBL6539436

SCHEMBL6539436

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](CO)Cc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
AKT1 P31749 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSS P25774 4/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CTSK P43235 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
SCHEMBL4973190 0.93 BACE1 (0.48) BACE1AKT1HDAC3HDAC1HDAC2
SCHEMBL27459831 0.93 BACE1 (0.48) BACE1AKT1HDAC3HDAC1HDAC2
SCHEMBL27511976 0.87 BACE1 (0.45) BACE1AKT1HDAC3HDAC1HDAC2
SCHEMBL1971865 0.86 ALDH1A1 (0.42) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL28175486 0.86 ALDH1A1 (0.42) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4584497 0.85 BACE1 (0.56) BACE1ALDH1A1MEN1KMT2AITGA4
SCHEMBL4584501 0.85 BACE1 (0.56) BACE1ALDH1A1MEN1KMT2AITGA4
SCHEMBL6540352 0.85 MEN1 (0.42) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL6539625 0.83 BACE1 (0.44) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL9115215 0.82 ATM (0.47) BACE1AKT1HDAC3HDAC1HDAC2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 BACE1 3900/4885AKT1 3167/4885HDAC3 2501/4885

“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.