SCHEMBL3955176

SCHEMBL3955176

O=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.67
MCL1 Q07820 4/20 0.67
TTR P02766 8/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
MAOA P21397 3/20 0.54
KDM4E B2RXH2 3/20 0.54
CYP3A4 P08684 3/20 0.54
HPGD P15428 3/20 0.54
ALOX15 P16050 3/20 0.54
ALOX12 P18054 3/20 0.54
RECQL P46063 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 2/20 0.54
DAPK1 P53355 2/20 0.54
CYP1B1 Q16678 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL29407198 0.87 BCL2 (0.67) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL6548219 0.87 BCL2 (0.67) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL29388375 0.80 BCL2 (1.00) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL555230 0.80 BCL2 (1.00) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL29384381 0.80 BCL2 (1.00) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL9051242 0.79 MAPT (0.62) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL9131211 0.79 ALDH1A1 (0.52) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL28019688 0.78 MAPT (0.55) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL3174840 0.76 BCL2 (0.71) BCL2MCL1TTRALDH1A1MEN1
SCHEMBL29178228 0.76 MCL1 (0.71) BCL2MCL1TTRALDH1A1MEN1

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
CN-104945269-A Rhein carboxylic acid esters derivative and appliance CHANGZHOU SHANMEI PHARMACEUTICAL RES & DEV CT CO LTD 2015-09-30 CN disclosed
CN-104926754-A Rhein derivant and application thereof CHANGZHOU SHANMEI PHARMACEUTICAL RES & DEV CT CO LTD 2015-09-23 CN disclosed
CN-101573321-A Salts of dihydroxyanthraquinone carboxylic acids and their therapeutic use SOSEI R & D LTD (GB) 2009-11-04 CN disclosed
CN-101573321-A Salts of dihydroxyanthraquinone carboxylic acids and their therapeutic use SOSEI R & D LTD (GB) 2009-11-04 CN disclosed
US-20090270494-A1 Salts of Dihydroxyanthraquinone Carboxylic Acids and Their Therapeutic Use SOSEI R&D LTD. (GB) 2009-10-29 US disclosed
EP-2079676-A1 SALTS OF DIHYDROXYANTHRAQUINONE CARBOXYLIC ACIDS AND THEIR THERAPEUTIC USE Sosei R&D Ltd. (GB) 2009-07-22 EP disclosed
WO-2008056156-A1 SALTS OF DIHYDROXYANTHRAQUINONE CARBOXYLIC ACIDS AND THEIR THERAPEUTIC USE SOSEI R & D LTD. (GB) 2008-05-15 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-20090270494-A1 Salts of Dihydroxyanthraquinone Carboxylic Acids and Their Therapeutic Use NR0B1, NR5A2, NR5A1 BCL2 4007/4885MCL1 3861/4885TTR 4358/4885

“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.