SCHEMBL12052829

SCHEMBL12052829

COC(=O)c1ccc2c(c1)-c1cc(COC=O)ccc1C2O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP4A11 Q02928 2/20 0.38
CYP4F2 P78329 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL12052830 0.89 LOXL2 (0.41) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12052831 0.86 LOXL2 (0.39) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12050838 0.84 LOXL2 (0.40) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12052799 0.84 TRPA1 (0.40) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL13550876 0.82 CA1 (0.52) LOXL2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL12052835 0.82 MAPT (0.48) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL16449828 0.79 PTPN11 (0.51) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL5543244 0.78 LOXL2 (0.62) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL121593 0.78 LOXL2 (0.58) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL19829368 0.78 PTPN11 (0.47) LOXL2MAPTRAB9AALDH1A1SMN1; SMN2

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 LOXL2 3407/4885MAPT 3665/4885RAB9A 4132/4885

“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.