SCHEMBL1853201

SCHEMBL1853201

CCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
ALDH2 P05091 1/20 0.57
PTPN1 P18031 1/20 0.54
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.49
TBXAS1 P24557 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL434786 0.95 GAA (0.68) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL9267668 0.93 GAA (0.70) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL12646476 0.88 GAA (0.64) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL1550341 0.87 GAA (0.59) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL9268449 0.87 GAA (0.62) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL5386249 0.87 MAPT (0.74) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL12646482 0.85 KDM4E (0.57) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL29226837 0.84 GAA (0.56) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL11815554 0.84 GAA (0.72) GAANPSR1KDM4EHPGDHSD17B10
SCHEMBL4816077 0.84 GAA (0.59) GAANPSR1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2011-05-05 US disclosed
US-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2011-05-05 US disclosed
US-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2011-05-05 US disclosed
WO-2009117739-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2009-09-24 WO disclosed
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO 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-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING ESRRB, ESRRA, ESRRG GAA 4645/4885NPSR1 1494/4885KDM4E 1782/4885

“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.