SCHEMBL17767271

SCHEMBL17767271

CCOC(=O)C(C(=O)OCC)C1=CC(=O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 2/20 0.35
CYP2D6 P10635 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
TLR4 O00206 1/20 0.34
TSHR P16473 2/20 0.33
BRD4 O60885 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12937743 0.68 MMP8 (0.38) MMP8MEN1KMT2AMAPTCYP2D6
SCHEMBL3937352 0.68 MAPT (0.40) KMT2AMAPTTLR4
SCHEMBL16752747 0.67 MEN1 (0.46) MEN1KMT2AMAPTTSHRHSD17B10
SCHEMBL10706613 0.67 KMT2A (0.36) MEN1KMT2AMAPTTLR4BRD4
SCHEMBL15974383 0.65 HDAC2 (0.37) MEN1KMT2AMAPTTSHRHSD17B10
SCHEMBL23466930 0.64 TSHR (0.35) MEN1KMT2AMAPTCYP2D6TSHR
SCHEMBL271585 0.64 MMP8 (0.59) MMP8MEN1KMT2ATSHRHSD17B10
SCHEMBL99907 0.63 KMT2A (0.49) MEN1KMT2AMAPT
SCHEMBL15973797 0.63 KDM4E (0.40) MEN1KMT2AMAPTHSD17B10SMN1; SMN2
SCHEMBL8689763 0.62 KMT2A (0.41) MEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2016-05-26 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-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS TBCB, RUVBL2, RHEB MMP8 4790/4885MEN1 1157/4885KMT2A 1264/4885

“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.