SCHEMBL1678683

SCHEMBL1678683

CCCC([O])CCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
KCNH2 Q12809 1/20 0.47
TRPA1 O75762 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL1678630 0.98 SIGMAR1 (0.51) SIGMAR1KCNH2TRPA1MAPTRXFP1
SCHEMBL1678781 0.93 SIGMAR1 (0.49) SIGMAR1KCNH2
SCHEMBL1678339 0.91 KCNH2 (0.53) SIGMAR1KCNH2S1PR2S1PR1S1PR3
SCHEMBL1679070 0.91 KCNH2 (0.49) SIGMAR1KCNH2HTR2A
SCHEMBL1678751 0.87 TRPA1 (0.47) SIGMAR1KCNH2TRPA1MAPTRXFP1
SCHEMBL1678557 0.85 MEN1 (0.46) SIGMAR1KCNH2TRPA1MAPTRXFP1
SCHEMBL10582658 0.83 ESR1 (0.62) MAPTS1PR2S1PR1S1PR3
SCHEMBL11785905 0.82 SIGMAR1 (0.50) SIGMAR1KCNH2TRPA1HTR2A
SCHEMBL1678739 0.79 SMN1; SMN2 (0.46) SIGMAR1KCNH2
SCHEMBL28471076 0.79 FDFT1 (0.47) SIGMAR1MAPTRXFP1

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 SIGMAR1 4028/4885KCNH2 4863/4885TRPA1 2141/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 SIGMAR1 706/4885KCNH2 2251/4885TRPA1 1743/4885

“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.