SCHEMBL21823965

SCHEMBL21823965

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCCO)cc(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 3/20 0.72
CYP3A4 P08684 3/20 0.72
RECQL P46063 3/20 0.72
HSD17B10 Q99714 3/20 0.72
LMNA P02545 2/20 0.72
APP P05067 2/20 0.72
MAPT P10636 2/20 0.72
THRB P10828 2/20 0.72
AKR1B1 P15121 2/20 0.72
ELAVL3 Q14576 2/20 0.72
IPMK Q8NFU5 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
IP6K2 Q9UHH9 2/20 0.72
BCL9 O00512 3/20 0.70
CTNNB1 P35222 3/20 0.70
POLH Q9Y253 4/20 0.69
NOX4 Q9NPH5 3/20 0.69
USP2 O75604 2/20 0.69

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
SCHEMBL29369747 1.00 MEN1 (0.72) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28415079 0.92 MEN1 (0.74) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL27948361 0.90 BCL9 (0.72) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL13445534 0.88 ACE2 (0.69) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL29369818 0.88 ACE2 (0.69) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL5126336 0.86 MEN1 (0.69) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL9957935 0.85 MEN1 (0.68) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL27581494 0.85 MEN1 (0.79) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL27193648 0.84 MEN1 (0.82) MEN1KMT2AKDM4ECYP3A4RECQL
Rhamnetin SCHEMBL7164573 0.84 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143058-A1 Pharmaceutical Compositions Comprising a Hydroxyethylquercetin Glucuronide JANSSEN PHARMACEUTICA NV (BE) 2022-05-12 US disclosed
EP-3860617-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A HYDROXYETHYLQUERCETIN GLUCURONIDE Janssen Pharmaceutica N.V. (BE) 2021-08-11 EP disclosed
US-20200155584-A1 Pharmaceutical Compositions Comprising a Hydroxyethylquercetin Glucuronide JANSSEN PHARMACEUTICA NV (BE) 2020-05-21 US disclosed
WO-2020070643-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A HYDROXYETHYLQUERCETIN GLUCURONIDE JANSSEN PHARMACEUTICA NV (BE) 2020-04-09 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 (2 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-20220143058-A1 Pharmaceutical Compositions Comprising a Hydroxyethylquercetin Glucuronide COMT, UGT1A6, SLC6A2 MEN1 3746/4885KMT2A 3138/4885KDM4E 1374/4885
US-20200155584-A1 Pharmaceutical Compositions Comprising a Hydroxyethylquercetin Glucuronide COMT, UGT1A6, SLC6A2 MEN1 3746/4885KMT2A 3138/4885KDM4E 1374/4885

“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.