SCHEMBL4584170

SCHEMBL4584170

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
ADRB2 P07550 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BACE1 P56817 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 1/20 0.37
HTR5A P47898 1/20 0.36

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
SCHEMBL5703779 0.93 ADRB1 (0.52) HDAC1HDAC6ADRB1ADRB3ADRB2
SCHEMBL4585450 0.88 ADRB3 (0.52) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL4585455 0.88 ADRB3 (0.52) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL4584322 0.82 L3MBTL1 (0.49) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4585243 0.79 ADRB3 (0.55) HDAC1ADRB1ADRB3ADRB2KDM4E
SCHEMBL4585240 0.79 ADRB3 (0.55) HDAC1ADRB1ADRB3ADRB2KDM4E
SCHEMBL4583941 0.78 BACE1 (0.43) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL4583939 0.78 BACE1 (0.43) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL5703667 0.77 ADRB3 (0.54) ADRB1ADRB3ADRB2
SCHEMBL9823156 0.77 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2NCOR2

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 2 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
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 HDAC1 1357/4885HDAC6 793/4885ADRB1 70/4885

“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.