SCHEMBL8043893

SCHEMBL8043893

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8037477 0.88 MAPT (0.44) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8037487 0.87 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8027534 0.86 MAPT (0.40) MAPTKDM4EALDH1A1NPSR1POLB
SCHEMBL8039516 0.85 HTT (0.48) MAPTCA12CA1CA2CA7
SCHEMBL8044102 0.84 MAPT (0.42) MAPTCA12CA1CA2CA7
SCHEMBL12717362 0.82 NPC1 (0.39) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12717395 0.81 MAPT (0.40) MAPTKDM4EALDH1A1NPSR1POLB
SCHEMBL8044104 0.80 MAPT (0.40) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1616920 0.80 SMPD1 (0.44) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL12717442 0.80 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1KMT2A

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-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-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
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
WO-2009081891-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) 2009-07-02 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-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 3517/4885CA12 3554/4885CA1 4526/4885

“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.