SCHEMBL12062913

SCHEMBL12062913

COC(=O)Cc1ccc(CC(=O)OC)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
HSP90AB1 P08238 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
SLC7A5 Q01650 1/20 0.44
PDK2 Q15119 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL10309764 0.91 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL10174733 0.90 CYP4F2 (0.45) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL20943235 0.88 ALDH1A1 (0.54) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL4844663 0.88 ALDH1A1 (0.46) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL1786183 0.85 NPC1 (0.63) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL14301862 0.85 ALDH1A1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL10015983 0.84 NPC1 (0.45) ALDH1A1CYP4F2CYP4A11HSP90AB1SMN1; SMN2
SCHEMBL30096935 0.82 GAA (0.68) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2127019 0.82 GAA (0.68) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL8146212 0.82 GAA (0.63) ALDH1A1GAAGFERCYP4F2CYP4A11

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 4 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
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 1358/4885GAA 231/4885GFER 4069/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 ALDH1A1 1358/4885GAA 231/4885GFER 4069/4885

“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.