SCHEMBL4468550

SCHEMBL4468550

COC(=O)c1cc(C)c(-c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
LPAR1 Q92633 8/20 0.41
LPAR5 Q9H1C0 4/20 0.41
NR1H4 Q96RI1 1/20 0.40
RCE1 Q9Y256 1/20 0.40
LPAR2 Q9HBW0 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9823156 0.80 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4585776 0.79 KMT2A (0.45) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4463800 0.79 ADRB3 (0.44)
SCHEMBL3748913 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL1798901 0.77 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3695642 0.77 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL580233 0.77 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4584170 0.77 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4584322 0.77 L3MBTL1 (0.49) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL30724412 0.77 HDAC1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 HDAC1 2194/4885HDAC6 1316/4885HDAC3 2349/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 HDAC1 864/4885HDAC6 365/4885HDAC3 1060/4885

“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.