SCHEMBL1678463

SCHEMBL1678463

CN(C1CCCCCC1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 8/20 0.48
ADH1C P00326 5/20 0.48
PHGDH O43175 2/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ADH4 P08319 1/20 0.39
ADH1B P00325 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1356265 1.00 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1679036 1.00 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
Hydrochloric Acid SCHEMBL1354676 0.97 ADH1A (0.46) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20725618 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23072500 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23072499 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL24914755 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20733077 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL22212587 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20887811 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI ADH1A 4118/4885ADH1C 4567/4885PHGDH 2573/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ADH1A 2316/4885ADH1C 3082/4885PHGDH 4494/4885

“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.