SCHEMBL20200773

SCHEMBL20200773

Cc1ccc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
KDM4E B2RXH2 4/20 0.77
CYP19A1 P11511 3/20 0.77
ALOX15 P16050 3/20 0.77
MAPT P10636 3/20 0.77
FBP1 P09467 2/20 0.77
SLCO2B1 O94956 2/20 0.77
ALDH1A1 P00352 2/20 0.77
HPGD P15428 2/20 0.77
APEX1 P27695 2/20 0.77
DAPK1 P53355 2/20 0.77
GLA P06280 1/20 0.77
HSPD1 P10809 1/20 0.77
RAD52 P43351 1/20 0.77
HSPE1 P61604 1/20 0.77
TST Q16762 1/20 0.77
BCL9 O00512 7/20 0.62
CTNNB1 P35222 7/20 0.62
CDK1 P06493 3/20 0.56

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
Gossypetin SCHEMBL29419067 0.87 MEN1 (1.00) MEN1KMT2AKDM4ECYP19A1ALOX15
Gossypetin SCHEMBL157033 0.87 MEN1 (1.00) MEN1KMT2AKDM4ECYP19A1ALOX15
Gossypetin SCHEMBL29929428 0.87 MEN1 (1.00) MEN1KMT2AKDM4ECYP19A1ALOX15
SCHEMBL16682485 0.86 FBP1 (0.78) MEN1KMT2AKDM4ECYP19A1ALOX15
Gossypetin SCHEMBL16782915 0.86 MEN1 (0.97) MEN1KMT2AKDM4ECYP19A1ALOX15
SCHEMBL12640014 0.84 MEN1 (0.77) MEN1KMT2AKDM4ECYP19A1ALOX15
SCHEMBL30190288 0.84 MEN1 (0.77) MEN1KMT2AKDM4ECYP19A1ALOX15
Herbacetin SCHEMBL31442430 0.82 FBP1 (1.00) MEN1KMT2AKDM4ECYP19A1ALOX15
Herbacetin SCHEMBL872691 0.82 FBP1 (1.00) MEN1KMT2AKDM4ECYP19A1ALOX15
SCHEMBL13857095 0.81 MEN1 (0.77) MEN1KMT2AKDM4ECYP19A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-07-26 US disclosed
US-20180147223-A1 BOTULINUM NEUROTOXIN INHIBITORS Prime Bio, Inc (US) 2018-05-31 US 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-20180147223-A1 BOTULINUM NEUROTOXIN INHIBITORS BTD, ACHE, GABBR1 MEN1 1735/4885KMT2A 3872/4885KDM4E 2847/4885
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies RAD52, BRCA1, RAD50 MEN1 1087/4885KMT2A 924/4885KDM4E 3907/4885

“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.