SCHEMBL4891555

SCHEMBL4891555

[C-]#[N+]C(C)(C)CCCCCCCCCCOCc1c2ccccc2cc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.33
GBA2 Q9HCG7 2/20 0.31
GBA1 P04062 1/20 0.31
LTB4R Q15722 1/20 0.30

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
SCHEMBL13989578 0.80 ABCB1 (0.36) HTR2AL3MBTL1EPHX1GBA2GBA1
SCHEMBL4645823 0.78 MAPT (0.42) HTR2AL3MBTL1EPHX1
SCHEMBL4930379 0.77 L3MBTL1 (0.34) HTR2AL3MBTL1
SCHEMBL4935450 0.77 ABCB1 (0.42) HTR2AL3MBTL1
SCHEMBL12561163 0.76 TSHR (0.47) L3MBTL1GBA2GBA1
SCHEMBL3694797 0.76 L3MBTL1 (0.43) HTR2AL3MBTL1EPHX1GBA2GBA1
SCHEMBL4935443 0.75 HTR2A (0.36) HTR2AL3MBTL1
SCHEMBL2796738 0.73 HTR2A (0.58) HTR2AL3MBTL1EPHX1
SCHEMBL8372908 0.72 L3MBTL1 (0.42) HTR2AL3MBTL1EPHX1
SCHEMBL8372979 0.72 HTR2A (0.42) HTR2AL3MBTL1EPHX1

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 4 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
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 disclosed
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 530/4885EPHX1 2353/4885

“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.