SCHEMBL4584501

SCHEMBL4584501

CC(C)(C)OC(=O)N(C[C@H](O)c1ccccc1)[C@@H](CO)Cc1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.56
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RIPK1 Q13546 1/20 0.34
AOC3 Q16853 1/20 0.34
CNR2 P34972 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL4584497 1.00 BACE1 (0.56) BACE1PPARGPPARAKDM4EMEN1
SCHEMBL6539436 0.85 BACE1 (0.45) BACE1MEN1KMT2AALDH1A1ITGA4
SCHEMBL12835896 0.82 BACE1 (0.48) BACE1PPARGPPARAKDM4EMEN1
SCHEMBL6539195 0.79 BACE1 (0.54) BACE1ADRB1ADRB3
SCHEMBL6538940 0.79 BACE1 (0.54) BACE1ADRB1ADRB3
SCHEMBL6538935 0.79 BACE1 (0.54) BACE1ADRB1ADRB3
SCHEMBL4973190 0.78 BACE1 (0.48) BACE1MEN1KMT2AALDH1A1ITGA4
SCHEMBL27459831 0.78 BACE1 (0.48) BACE1MEN1KMT2AALDH1A1ITGA4
SCHEMBL11214244 0.76 F2R (0.45) BACE1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10190452 0.75 BACE1 (0.43) BACE1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 BACE1 3089/4885PPARG 658/4885PPARA 458/4885

“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.