SCHEMBL1678739

SCHEMBL1678739

CCC([O])CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
EPHX2 P34913 2/20 0.44
KDM4A O75164 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 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 0.94 MEN1 (0.46) SMN1; SMN2SIGMAR1ADRA1ASLC6A3CHRM2
SCHEMBL1678751 0.92 TRPA1 (0.47) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL1678091 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL1678781 0.86 SIGMAR1 (0.49) SMN1; SMN2SIGMAR1ADRA1ASLC6A3CHRM2
SCHEMBL28471076 0.83 FDFT1 (0.47) SMN1; SMN2SIGMAR1ADRA1ASLC6A3HDAC3
SCHEMBL1678630 0.81 SIGMAR1 (0.51) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL1678339 0.81 KCNH2 (0.53) SIGMAR1KCNH2
SCHEMBL1679070 0.81 KCNH2 (0.49) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL1128437 0.80 SIGMAR1 (0.46) SMN1; SMN2SIGMAR1ADRA1ASLC6A3CHRM2
SCHEMBL1678683 0.79 SIGMAR1 (0.50) SIGMAR1KCNH2

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 SMN1; SMN2 3428/4885SIGMAR1 4028/4885ADRA1A 979/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 SMN1; SMN2 4629/4885SIGMAR1 706/4885ADRA1A 206/4885

“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.