SCHEMBL4876543

SCHEMBL4876543

O=C(O)c1cc(O)c(O)c(OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MRGPRX4 Q96LA9 3/20 0.55
NR4A2 P43354 2/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 1/20 0.54
PTGER1 P34995 3/20 0.53
PTGS2 P35354 1/20 0.53
RXRA P19793 3/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL30307916 1.00 MEN1 (0.61) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL2227072 0.94 LMNA (0.56) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL30307871 0.92 POLB (0.66) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL7045904 0.86 MEN1 (0.56) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL30102539 0.85 LMNA (0.76) MEN1KMT2AHPGDLMNANPC1
SCHEMBL4874871 0.85 LMNA (0.76) MEN1KMT2AHPGDLMNANPC1
SCHEMBL3960943 0.84 NR4A2 (0.58) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL3965806 0.84 EGFR (0.64) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL27527174 0.84 MEN1 (0.54) MEN1KMT2AMRGPRX4NR4A2NR4A1
SCHEMBL9052394 0.83 LMNA (0.74) MEN1KMT2ANR4A2NR4A1NR4A3

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-20080070850-A1 GALLOTANNINS AND ELLIGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2008-03-20 US disclosed
US-7288273-B1 Gallotannins and ellagitannins as regulators of cytokine release THE PENN STATE RESEARCH FOUNDATION (US) 2007-10-30 US disclosed
EP-1232169-A1 GALLOTANNINS AND ELLAGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
WO-2001036436-A1 GALLOTANNINS AND ELLAGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2001-05-25 WO disclosed
EP-0491600-A1 Process for the regiospecific monofunctionalisation of a phenolic hydroxy group of a polyphenol ROUSSEL UCLAF (FR) 1992-06-24 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-20080070850-A1 GALLOTANNINS AND ELLIGITANNINS AS REGULATORS OF CYTOKINE RELEASE IL2, IL6, TNF MEN1 2640/4885KMT2A 3946/4885MRGPRX4 725/4885

“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.