SCHEMBL716467

SCHEMBL716467

COc1cc(/C=C/C(=O)O)ccc1OC(C)=O.COc1cc(/C=C/C(=O)O)ccc1OC(C)=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.81
NFKB1 P19838 1/20 0.81
KDM4E B2RXH2 4/20 0.79
ALDH1A1 P00352 3/20 0.79
HPGD P15428 2/20 0.79
HSD17B10 Q99714 2/20 0.79
ALOX15 P16050 1/20 0.79
MAPK1 P28482 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
SNCA P37840 2/20 0.66
PKM P14618 2/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA3 P07451 1/20 0.66
CSNK2A2 P19784 1/20 0.66
CA4 P22748 1/20 0.66
CA6 P23280 1/20 0.66
CA5A P35218 1/20 0.66
CA7 P43166 1/20 0.66

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
SCHEMBL111272 1.00 JUN (0.81) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL111271 1.00 JUN (0.81) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL29988654 1.00 JUN (0.81) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL29988606 1.00 JUN (0.81) JUNNFKB1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8830791 0.98 JUN (0.78) JUNNFKB1KDM4EALDH1A1HPGD
Acetamide SCHEMBL10706949 0.96 KDM4E (0.78) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL2260497 0.94 KDM4E (0.79) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL2260502 0.94 KDM4E (0.79) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL8620254 0.93 JUN (0.71) JUNNFKB1KDM4EALDH1A1HPGD
SCHEMBL8620256 0.93 JUN (0.71) JUNNFKB1KDM4EALDH1A1HPGD

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-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 JUN 3652/4885NFKB1 4259/4885KDM4E 738/4885

“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.