SCHEMBL8044554

SCHEMBL8044554

O=C(O)c1cc(OCc2cc(COc3cc(C(=O)O)cc(C(=O)O)c3)cc(COc3cc(C(=O)O)cc(C(=O)O)c3)c2)cc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
NR4A2 P43354 9/20 0.56
PTPRC P08575 1/20 0.55
PTPRF P10586 1/20 0.55
PTPN1 P18031 1/20 0.55
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
SRD5A2 P31213 2/20 0.49
PLA2G2A P14555 1/20 0.49
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL28767935 0.96 MEN1 (0.70) MEN1KMT2ANR4A2PTPRCPTPRF
SCHEMBL31141980 0.90 MEN1 (0.79) MEN1KMT2ANR4A2PTPRCPTPN1
SCHEMBL18687040 0.86 MEN1 (0.74) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL862870 0.86 MEN1 (0.93) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL17089024 0.85 MEN1 (0.61) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL7943171 0.85 MEN1 (0.72) MEN1KMT2ANR4A2PTPRCPTPN1
SCHEMBL17089120 0.83 MEN1 (0.59) MEN1KMT2ANR4A2PTPRCPTPN1
SCHEMBL1426961 0.82 MEN1 (1.00) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL6841528 0.82 MEN1 (0.69) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL2650306 0.82 MEN1 (0.69) MEN1KMT2ANR4A2PTPRCPTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117816250-B Rhenium-based supported catalyst, preparation thereof and application thereof in synthesis of rose ether intermediate 山东新和成药业有限公司 2024-06-04 CN disclosed
CN-117816250-A Rhenium-based supported catalyst, preparation thereof and application thereof in synthesis of rose ether intermediate 山东新和成药业有限公司 2024-04-05 CN disclosed
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 US disclosed
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 US disclosed
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 EP disclosed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 EP disclosed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 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-20090143596-A1 Supramolecular Assemblies and Building Blocks TERB1, TBCB, PARG MEN1 712/4885KMT2A 3210/4885NR4A2 2658/4885

“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.