SCHEMBL12052802

SCHEMBL12052802

[C-]#[N+]C1(CC(C)C)c2ccc(COC=O)cc2Cc2cc(C(=O)OC)ccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
TRPA1 O75762 3/20 0.32
NAMPT P43490 1/20 0.31
OPRD1 P41143 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12052828 0.87 RAB9A (0.37) LOXL2KDM4EALDH1A1MAPTRAB9A
SCHEMBL12052800 0.78 LMNA (0.36) ACACBTRPA1
SCHEMBL12050858 0.77 TDP1 (0.38) ACACBNAMPTKDM4EALDH1A1MAPT
SCHEMBL12052797 0.76 PTPRC (0.40) TRPA1LOXL2MAPTRAB9ASMN1; SMN2
SCHEMBL12050836 0.75 CA1 (0.37) TRPA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12052799 0.73 TRPA1 (0.40) TRPA1LOXL2KDM4EALDH1A1MAPT
SCHEMBL12052798 0.72 TRPA1 (0.39) TRPA1LOXL2KDM4EALDH1A1MAPT
SCHEMBL12052803 0.70 LOXL2 (0.36) TRPA1LOXL2KDM4EALDH1A1MAPT
SCHEMBL12050837 0.70 MAPK14 (0.44) LOXL2MAPTRAB9ASMN1; SMN2
SCHEMBL12050838 0.69 LOXL2 (0.40) ACACBTRPA1LOXL2KDM4EALDH1A1

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-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 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-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 ACACB 746/4885TRPA1 3541/4885NAMPT 636/4885

“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.