SCHEMBL2989585

SCHEMBL2989585

CCOc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
NQO1 P15559 1/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 3/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
AOC3 Q16853 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL2992927 0.85 MAPT (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8548230 0.84 NCF1 (0.35) ALDH1A1MAPTL3MBTL1LMNANPSR1
SCHEMBL2987015 0.84 CYP2C9 (0.40)
SCHEMBL2983769 0.82 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2992892 0.81 MEN1 (0.38) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2985373 0.81 MEN1 (0.38) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2990341 0.81 MEN1 (0.38) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2984245 0.81 MEN1 (0.38) MAPTMEN1KMT2AHTTLMNA
SCHEMBL6839095 0.80 IDO1 (0.34) ALDH1A1RECQLAOC3TDP1
SCHEMBL8500697 0.80 GPR84 (0.33)

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
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 US disclosed
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 US disclosed
WO-2022061140-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 WO disclosed
US-8778975-B2 Helicobacter pylori eradicating agent having inhibitory activity on gastric acid secretion Link Geonomics, Inc. (JP) 2014-07-15 US disclosed
EP-2103608-B1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS INC (JP) 2012-08-29 EP disclosed
US-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS, INC. (JP) 2010-07-08 US disclosed
EP-2103608-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION Arigen, Pharmaceuticals, Inc. (JP) 2009-09-23 EP 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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A ALDH1A1 752/4885NQO1 132/4885KDM4E 4317/4885
US-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION GIPR, PGC, SLC10A2 ALDH1A1 1629/4885NQO1 1420/4885KDM4E 4341/4885

“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.