SCHEMBL4898326

SCHEMBL4898326

CC(C)(O)CCCCCCCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL5351781 1.00 ALDH1A1 (0.47) ALDH1A1FFAR1CPT2TDP1TSHR
SCHEMBL1459586 0.97
SCHEMBL1184710 0.88
SCHEMBL5915749 0.85 ALDH1A1 (0.64) ALDH1A1FFAR1CPT2TDP1
SCHEMBL2945318 0.85 ALDH1A1 (0.64) ALDH1A1FFAR1CPT2TDP1
SCHEMBL2943010 0.85 ALDH1A1 (0.64) ALDH1A1FFAR1CPT2TDP1
SCHEMBL3040312 0.85 ALDH1A1 (0.64) ALDH1A1FFAR1CPT2TDP1
SCHEMBL1269985 0.82 ALDH1A1 (0.69) ALDH1A1FFAR1CPT2TDP1MEN1
SCHEMBL16969686 0.77 TSHR (0.35) TSHR
SCHEMBL8626926 0.77 ACHE (0.30)

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 2 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 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 ALDH1A1 480/4885FFAR1 1469/4885CPT2 1276/4885

“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.