SCHEMBL4733026

SCHEMBL4733026

Cc1c(OCc2ccccc2)cc[n+]([O-])c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.44
MAPK14 Q16539 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LIPE Q05469 1/20 0.42
HTR6 P50406 1/20 0.42
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 3/20 0.40
DRD2 P14416 1/20 0.40
PTGER1 P34995 1/20 0.40
EDNRA P25101 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
BRD4 O60885 2/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL6839830 0.87 TDP1 (0.44) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL4899662 0.86 MAPT (0.49) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL26601857 0.84 MAPT (0.47) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL4681858 0.83 MAPT (0.46) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL27721108 0.82 MAPT (0.56) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8882483 0.80 BCHE (0.47) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL9007487 0.77 MAPT (0.80) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL6881085 0.76 MAPT (0.49) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8882728 0.75 POLB (0.42) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL19612191 0.75 MAPT (1.00) MAPTTDP1L3MBTL1MAPK1SMN1; 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 5 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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
EP-0167943-A2 Benzimidazole derivatives, process for their preparation, and their use as pharmaceuticals BEECHAM GROUP PLC (GB) 1986-01-15 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 (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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A MAPT 4405/4885TDP1 4736/4885L3MBTL1 2260/4885

“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.