SCHEMBL4935443

SCHEMBL4935443

[C-]#[N+]C(C)(C)CCCCCCCCCC(N)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4930370 0.81
SCHEMBL4934813 0.79 HTR2A (0.36) HTR2AL3MBTL1
Hydrochloric Acid SCHEMBL3293875 0.76 HTR2A (0.47) HTR2AL3MBTL1
SCHEMBL4930379 0.75 L3MBTL1 (0.34) HTR2AL3MBTL1
SCHEMBL4935450 0.75 ABCB1 (0.42) HTR2AL3MBTL1
SCHEMBL4891555 0.75 HTR2A (0.34) HTR2AL3MBTL1
Hydrochloric Acid SCHEMBL3290867 0.73 HTR2A (0.50) HTR2AL3MBTL1
SCHEMBL4930377 0.72 HTR1B (0.32)
SCHEMBL3463475 0.71 HTR2A (0.55) HTR2AL3MBTL1
SCHEMBL4931390 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (JP) 2008-12-04 US claimed
EP-1783177-A1 NOVEL ISONITRILE COMPOUND, PROCESS FOR PRODUCING THE SAME, FLUORESCENCE LABELING AGENT FOR MARINE ATTACHED ORGANISM LARVA CONTAINING THE COMPOUND, AND METHOD OF DETECTING MARINE ATTACHED ORGANISM LARVA THEREWITH National University Corporation Tokyo University of Agriculture and Technology (JP) 2007-05-09 EP claimed
EP-1783177-A1 NOVEL ISONITRILE COMPOUND, PROCESS FOR PRODUCING THE SAME, FLUORESCENCE LABELING AGENT FOR MARINE ATTACHED ORGANISM LARVA CONTAINING THE COMPOUND, AND METHOD OF DETECTING MARINE ATTACHED ORGANISM LARVA THEREWITH National University Corporation Tokyo University of Agriculture and Technology (JP) 2007-05-09 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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker PFAS, FUCA1, FLNB HTR2A 4529/4885L3MBTL1 530/4885

“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.