SCHEMBL1678451

SCHEMBL1678451

CCCCCC(CCCC)[N]O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.42
FDPS P14324 5/20 0.42
DNM1 Q05193 2/20 0.42
CA1 P00915 2/20 0.41
OPRM1 P35372 1/20 0.40
GPR84 Q9NQS5 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
NFKB1 P19838 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1679220 0.95 ALDH1A1 (0.40) CA2LMNAFDPSDNM1CA1
SCHEMBL1679376 0.92 LMNA (0.41) CA2LMNAFDPSCA1OPRM1
SCHEMBL1678624 0.90 LMNA (0.44) CA2LMNAFDPSDNM1CA1
SCHEMBL1679050 0.90 ALDH1A1 (0.37) CA2LMNAFDPSDNM1CA1
SCHEMBL1678691 0.87 LMNA (0.41) CA2LMNAFDPSCA1OPRM1
SCHEMBL1679086 0.84
SCHEMBL1678736 0.78 DNM1 (0.46) CA2LMNAFDPSDNM1CA1
SCHEMBL5694470 0.74
SCHEMBL7529986 0.74 CA2 (0.45) CA2LMNAFDPSDNM1CA1
SCHEMBL21217020 0.74 DNM1 (0.42) CA2LMNAFDPSDNM1CA1

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 CA2 4718/4885LMNA 2091/4885FDPS 2234/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CA2 4239/4885LMNA 3203/4885FDPS 2589/4885

“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.