SCHEMBL5073503

SCHEMBL5073503

O=C(O)c1ccc2c(c1)C(=O)c1cc(O)cc(O)c1C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
ALDH1A1 P00352 3/20 0.71
POLB P06746 3/20 0.71
CYP3A4 P08684 3/20 0.71
MAPT P10636 3/20 0.71
KMT2A Q03164 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
HPGD P15428 2/20 0.71
RECQL P46063 2/20 0.71
APEX1 P27695 2/20 0.71
MAPK1 P28482 2/20 0.71
PKM P14618 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
TTR P02766 9/20 0.68
LCK P06239 1/20 0.63
BCL2 P10415 1/20 0.63
MCL1 Q07820 1/20 0.63
CSNK2A2 P19784 3/20 0.55
CSNK2B P67870 3/20 0.55
CSNK2A1 P68400 3/20 0.55

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
Emodic Acid SCHEMBL5073407 0.83 ALDH1A1 (1.00) MEN1ALDH1A1POLBCYP3A4MAPT
Emodic Acid SCHEMBL29360148 0.83 ALDH1A1 (1.00) MEN1ALDH1A1POLBCYP3A4MAPT
SCHEMBL9173829 0.83 TTR (0.72) MEN1ALDH1A1POLBCYP3A4MAPT
SCHEMBL18130067 0.83 BCL2 (0.76) MEN1ALDH1A1POLBCYP3A4MAPT
SCHEMBL18130095 0.83 BCL2 (0.76) MEN1ALDH1A1POLBCYP3A4MAPT
Lysine SCHEMBL5073498 0.82 MEN1 (0.50) MEN1ALDH1A1POLBCYP3A4MAPT
Lysine SCHEMBL5073501 0.82 MEN1 (0.50) MEN1ALDH1A1POLBCYP3A4MAPT
SCHEMBL31436146 0.82 TTR (0.73) MEN1ALDH1A1POLBCYP3A4MAPT
SCHEMBL3976640 0.82 TTR (0.73) MEN1ALDH1A1POLBCYP3A4MAPT
Carnitine SCHEMBL5073496 0.82 MEN1 (0.49) MEN1ALDH1A1POLBCYP3A4MAPT

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
EP-1913940-B1 RHEIN CONJUGATES, PREPARATION METHOD THEREOF AND THEIR USES IN PRODUCING MEDICINES FOR TREATING DIABETIC NEPHROSIS, INTESTINAL ADHESION AND OSTEOARTHRITIS CONG XIAODONG (CN) 2018-11-21 EP disclosed
US-9181172-B2 Rhein conjugates, preparation method thereof and their uses in producing medicines for treating diabetic nephrosis, intestinal adhesion and osteoarthritis CONG XIAODONG (CN) 2015-11-10 US disclosed
US-20080207758-A1 Reaction product of rhein with bases or amino acids; antidiabetic agents; gastrointestinal disorders; antiarthritic agents CONG XIAODONG 2008-08-28 US disclosed
EP-1913940-A1 RHEIN CONJUGATES, PREPARATION METHOD THEREOF AND THEIR USES IN PRODUCING MEDICINES FOR TREATING DIABETIC NEPHROSIS, INTESTINAL ADHESION AND OSTEOARTHRITIS Jiangsu Lianchuang Pharmaceutical Technology Co. (CN) 2008-04-23 EP disclosed
EP-1743886-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-17 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-20080207758-A1 Reaction product of rhein with bases or amino acids; antidiabetic agents; gastrointestinal disorders; antiarthritic agents ARGLU1, RO60, CROCC MEN1 837/4885ALDH1A1 3432/4885POLB 1431/4885

“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.