SCHEMBL1618138

SCHEMBL1618138

COc1cc(-c2noc(C)n2)c(-c2ccccc2C=O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
ERN1 O75460 5/20 0.42
TP53 P04637 6/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
S1PR1 P21453 1/20 0.40
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL8041102 0.85 ERN1 (0.41) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL12717346 0.83 MAPT (0.46) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL1617933 0.82 ERN1 (0.48) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL1618132 0.78 S1PR1 (0.40) MAPTKDM4EHSD17B10ERN1TP53
SCHEMBL5883322 0.77 KDM4E (0.46) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL8037443 0.76 MAPT (0.40) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL1618134 0.75 MAPT (0.59) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL8044102 0.72 MAPT (0.42) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL8037487 0.72 MAPT (0.42) MAPTKDM4EHSD17B10NPSR1GAA
SCHEMBL1618395 0.72 ERN1 (0.37) MAPTERN1TP53L3MBTL1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246338-B1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-7923462-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
EP-2246338-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2010-11-03 EP 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-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP2D6, CYP3A43 MAPT 3517/4885KDM4E 614/4885HSD17B10 90/4885

“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.