SCHEMBL380193

SCHEMBL380193

CC(C)(C)OC(=O)N(Cc1ccc(O)cc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
TAS2R14 Q9NYV8 5/20 0.47
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH2 P05091 1/20 0.46

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
SCHEMBL14004878 0.90 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL2655937 0.87 ALDH1A1 (0.57) HDAC3HDAC1HDAC2NCOR2TAS2R14
SCHEMBL380610 0.86 HDAC1 (0.56) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1857874 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3777451 0.84 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1956844 0.84 HDAC3 (0.52) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL27766700 0.83 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL28924709 0.82 HDAC1 (0.55) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL13078634 0.81 HDAC3 (0.48) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1243793 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2NCOR2TAS2R14

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC3 202/4885HDAC1 414/4885HDAC2 326/4885

“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.