SCHEMBL8037208

SCHEMBL8037208

COc1cc(-c2noc(C)n2)c(C(=O)c2ccc(OCc3ccccc3)cc2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SRD5A2 P31213 1/20 0.43
PTPN1 P18031 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL8040519 0.92 SMPD1 (0.44) PTGESHPGDL3MBTL1SRD5A2MGAM
SCHEMBL1618134 0.87 MAPT (0.59) LMNAHPGDKDM4ECYP3A4MAPT
SCHEMBL1617930 0.85 ATM (0.47) HPGDMAPTSRD5A2SMN1; SMN2ATM
SCHEMBL8035449 0.85 SMPD1 (0.45) HPGDKDM4EMAPTSRD5A2SMN1; SMN2
SCHEMBL8036216 0.84 SMPD1 (0.41) PTGESHPGDL3MBTL1SMN1; SMN2ATM
SCHEMBL12717444 0.84 PARP15 (0.40) LMNAHPGDKDM4ECYP3A4MAPT
SCHEMBL12717325 0.83 SMPD1 (0.46) LMNAHPGDKDM4ECYP3A4MAPT
SCHEMBL8038070 0.83 MAPT (0.46) LMNAHPGDKDM4ECYP3A4MAPT
SCHEMBL12717327 0.83 SMPD1 (0.42) HPGDSRD5A2SMN1; SMN2ATM
SCHEMBL12717405 0.82 LMNA (0.42) LMNAHPGDKDM4ECYP3A4MAPT

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 PTGES 1867/4885LMNA 4669/4885HPGD 964/4885

“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.