SCHEMBL6540218

SCHEMBL6540218

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccccc2OCC(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.46
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
LPAR1 Q92633 7/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR5 Q9H1C0 5/20 0.39
ALDH1A1 P00352 1/20 0.38
PTK2B Q14289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL6554100 0.87 PTGS2 (0.49) SLC6A9HDAC1HDAC3HDAC2NCOR2
SCHEMBL6554097 0.85 HDAC1 (0.41) SLC6A9HDAC1HDAC3HDAC2NCOR2
SCHEMBL6810353 0.83 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6539902 0.82 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6540809 0.82 CA12 (0.42) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6541405 0.81 LPAR1 (0.54) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL9823156 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6540935 0.79 LPAR1 (0.48) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6802456 0.77 LPAR1 (0.47) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL3695642 0.77 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2LPAR1

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 SLC6A9 467/4885HDAC1 1603/4885HDAC3 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.