SCHEMBL6540863

SCHEMBL6540863

CCOC(=O)c1ccc(Sc2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
RCE1 Q9Y256 1/20 0.43
LPAR1 Q92633 3/20 0.42
LPAR5 Q9H1C0 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6541235 0.93 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL6540326 0.92 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6800067 0.90 LPAR1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6539924 0.87 POLB (0.53) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6806805 0.87 LPAR1 (0.44) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6539902 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6810353 0.84 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6541405 0.83 LPAR1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6540837 0.82 POLB (0.53) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL4463889 0.82 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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 HDAC1 1603/4885HDAC3 2501/4885HDAC2 968/4885

“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.