SCHEMBL23780817

SCHEMBL23780817

O=C(O)CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 14/20 0.69
P2RY12 Q9H244 2/20 0.67
TAS1R3 Q7RTX0 2/20 0.66
TAS1R1 Q7RTX1 2/20 0.66
P2RY2 P41231 2/20 0.64
P2RY1 P47900 2/20 0.64
PRKAB2 O43741 1/20 0.64
TRPM2 O94759 1/20 0.64
LDHA P00338 1/20 0.64
ADRB2 P07550 1/20 0.64
FBP1 P09467 1/20 0.64
SRC P12931 1/20 0.64
ADORA1 P30542 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA2 P54646 1/20 0.64
PDE4D Q08499 1/20 0.64
KCNH2 Q12809 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PDE3A Q14432 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL198136 1.00 DNPH1 (0.69) DNPH1P2RY12TAS1R3TAS1R1P2RY2
SCHEMBL23780814 1.00 DNPH1 (0.69) DNPH1P2RY12TAS1R3TAS1R1P2RY2
SCHEMBL23787292 1.00 DNPH1 (0.69) DNPH1P2RY12TAS1R3TAS1R1P2RY2
SCHEMBL23787291 1.00 DNPH1 (0.69) DNPH1P2RY12TAS1R3TAS1R1P2RY2
SCHEMBL23780815 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2
SCHEMBL23780820 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2
SCHEMBL23780816 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2
SCHEMBL23787289 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2
SCHEMBL23787290 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2
SCHEMBL23780819 0.86 ADORA3 (0.66) ADORA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534439-B2 Xanthohumol derivatives and methods for making and using OREGON STATE UNIVERSITY (US) 2026-01-27 US disclosed
US-20250362309-A1 BIOMARKERS AND USE THEREOF FOR DIAGNOSIS, PREVENTION, AND TREATMENT OF MUSCLE ATROPHY MYOMAR MOLECULAR INC. (CA) 2025-11-27 US disclosed
WO-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO disclosed
CN-118726428-A Preparation method of adenylyl succinic acid 华东理工大学 2024-10-01 CN disclosed
US-20240051922-A1 XANTHOHUMOL DERIVATIVES AND METHODS FOR MAKING AND USING OREGON STATE UNIVERSITY (US) 2024-02-15 US disclosed
US-20230158084-A1 PROBIOTICS, METABOLITES, AND USES THEREOF HERITAGE MEDICAL RESEARCH INSTITUTE 2023-05-25 US disclosed
US-11273161-B2 Methods of treating autism spectrum disorders THE BROAD INSTITUTE, INC. (US) 2022-03-15 US disclosed
US-20210277005-A1 PROANGIOGENIC COMPOSITIONS AND METHODS OF USE UNIVERSITY OF NORTH DAKOTA 2021-09-09 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 (4 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-12534439-B2 Xanthohumol derivatives and methods for making and using MT-CO1, MT-CO2, PC DNPH1 2745/4885P2RY12 962/4885TAS1R3 513/4885
US-11273161-B2 Methods of treating autism spectrum disorders GABBR1, CHAT, GABBR2 DNPH1 3434/4885P2RY12 3664/4885TAS1R3 627/4885
US-20210277005-A1 PROANGIOGENIC COMPOSITIONS AND METHODS OF USE PGF, HDGF, VEGFA DNPH1 3315/4885P2RY12 1469/4885TAS1R3 3856/4885
US-20240051922-A1 XANTHOHUMOL DERIVATIVES AND METHODS FOR MAKING AND USING XDH, PC, TFB2M DNPH1 1003/4885P2RY12 1923/4885TAS1R3 3218/4885

“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.