SCHEMBL1678751

SCHEMBL1678751

CCC([O])CCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 7/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1678557 0.98 MEN1 (0.46) TRPA1SIGMAR1MAPTRXFP1S1PR2
SCHEMBL1678739 0.92 SMN1; SMN2 (0.46) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL1678683 0.87 SIGMAR1 (0.50) TRPA1SIGMAR1MAPTRXFP1S1PR2
SCHEMBL1678339 0.85 KCNH2 (0.53) SIGMAR1S1PR2S1PR1S1PR3KCNH2
SCHEMBL1678630 0.85 SIGMAR1 (0.51) TRPA1SIGMAR1MAPTRXFP1S1PR2
SCHEMBL1679070 0.85 KCNH2 (0.49) SIGMAR1MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1678091 0.84 TSHR (0.46) MEN1KMT2A
SCHEMBL11785493 0.81 SIGMAR1 (0.47) TRPA1SIGMAR1KCNH2L3MBTL1
SCHEMBL18951596 0.81 SIGMAR1 (0.50) TRPA1SIGMAR1KCNH2L3MBTL1
SCHEMBL16915556 0.79 SIGMAR1 (0.49) SIGMAR1KCNH2L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
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
CN-101119747-A Tissue factor production inhibitor SANKYO CO (JP) 2008-02-06 CN disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN 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 TRPA1 2141/4885SIGMAR1 4028/4885MAPT 1662/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TRPA1 1743/4885SIGMAR1 706/4885MAPT 4196/4885

“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.