SCHEMBL4731723

SCHEMBL4731723

O=C(O)c1c(O)c(Cc2cc3ccccc3c(C(=O)O)c2O)cc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.73
ME1 P48163 1/20 0.73
ME3 Q16798 1/20 0.73
CYP1A2 P05177 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GPR35 Q9HC97 2/20 0.54
POLB P06746 1/20 0.54
HMGB1 P09429 1/20 0.53
CXCL12 P48061 1/20 0.53
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN6 P29350 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL12972497 0.88 ME2 (0.62) ME2ME1ME3CYP1A2KDM4E
SCHEMBL8470674 0.85 ME2 (1.00) ME2ME1ME3CYP1A2KDM4E
SCHEMBL7396868 0.82 ME2 (0.57) ME2ME1ME3CYP1A2KDM4E
SCHEMBL88986 0.81 CYP1A2 (0.68) ME2ME1ME3CYP1A2KDM4E
SCHEMBL29779946 0.81 CYP1A2 (0.68) ME2ME1ME3CYP1A2KDM4E
SCHEMBL8603035 0.81 ME2 (0.56) ME2ME1ME3CYP1A2KDM4E
SCHEMBL313151 0.80 MEN1 (0.66) ME2ME1ME3CYP1A2KDM4E
Hydrochloric Acid SCHEMBL11313207 0.80 CYP1A2 (0.66) ME2ME1ME3CYP1A2KDM4E
SCHEMBL5380957 0.80 ME2 (0.70) ME2ME1ME3CYP1A2KDM4E
SCHEMBL5271656 0.79 BID (0.56) ME2ME1ME3CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039984-A2 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS BY INHIBITING CATHEPSIN D OBURA COMPANY (US) 2008-04-03 WO disclosed
US-6407110-B2 Polyhydroxyalkylpyrazine derivatives and their preparation and medicines containing them AVENTIS PHARMA S.A. (FR) 2002-06-18 US disclosed
US-20010018439-A1 Polyhydroxyalkylpyrazine derivatives and their preparation and medicines containing them AVENTIS PHARMA S.A. (FR) 2001-08-30 US disclosed
EP-0490370-B1 Electrostatic image-developing toner MITSUBISHI CHEM CORP (JP) 1997-03-12 EP disclosed
US-5200288-A Mixture of resin, colorant and additive having constant changeability MITSUBISHI KASEI CORPORATION (JP) 1993-04-06 US disclosed
EP-0490370-A1 Electrostatic image-developing toner Mitsubishi Chemical Corporation (JP) 1992-06-17 EP disclosed
US-5049574-A Psychotic diseases RHONE-POULENC SANTE (FR) 1991-09-17 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-20010018439-A1 Polyhydroxyalkylpyrazine derivatives and their preparation and medicines containing them CYP11B2, HRH2, NR1H4 ME2 1616/4885ME1 3464/4885ME3 1508/4885

“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.