SCHEMBL113191

SCHEMBL113191

CCOC(=O)CC(=O)C(C)OCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 2/20 0.34
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17737602 0.83 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL971753 0.83 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30546479 0.83 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL138841 0.83 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16397876 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.80 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12451732 0.79 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28825664 0.78 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28048908 0.78 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28048928 0.78 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 GAA 4195/4885MGAM 4883/4885SI 4650/4885
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK GAA 1435/4885MGAM 3973/4885SI 2605/4885

“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.