SCHEMBL4286973

SCHEMBL4286973

COc1cccc2c1C(=O)C(OC)(c1ccccc1)CO2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT1 Q96EB6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.35
NR3C1 P04150 1/20 0.35
MAOB P27338 1/20 0.35
HTR2C P28335 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MIF P14174 1/20 0.34
BACE1 P56817 1/20 0.34
TOP1 P11387 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
SCHEMBL2856269 0.79 PKM (0.39) KDM4EALDH1A1HPGDCYP19A1MAOB
SCHEMBL7500811 0.78 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27660494 0.71 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10SIRT1
SCHEMBL1922596 0.67 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL31411168 0.65 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL12316566 0.65 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL9372790 0.65 AR (0.47) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL149892 0.64 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3679517 0.63 CYP2C9 (0.35) ALDH1A1SIRT1
SCHEMBL3273673 0.63 KMT2A (0.50) KDM4EALDH1A1HPGDHSD17B10CA1

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-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS KDM4E 3739/4885ALDH1A1 860/4885HPGD 503/4885

“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.