SCHEMBL1678550

SCHEMBL1678550

CCC([O])(CC)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 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
SCHEMBL1679209 0.91 ADRA1A (0.42) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL1678864 0.88 TP53 (0.42) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL1679394 0.86 KCNH2 (0.48) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL1678141 0.82 MEN1 (0.46) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL6778470 0.76 HDAC3 (0.48) ADRA1ASLC6A3HDAC3MAPK1HDAC4
SCHEMBL11050995 0.76 HDAC3 (0.48) ADRA1ASLC6A3HDAC3MAPK1HDAC4
SCHEMBL8851534 0.75 L3MBTL1 (0.45) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL8380057 0.75 FAAH (0.50) ADRA1ASLC6A3HDAC3MAPK1HDAC4
SCHEMBL8376475 0.75 HDAC3 (0.47) ADRA1ASLC6A3HDAC3MAPK1HDAC4
SCHEMBL27782631 0.74 POLB (0.45) ADRA1ASLC6A3CHRM2HTR1AADRA2A

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 ADRA1A 979/4885SLC6A3 4041/4885CHRM2 3725/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ADRA1A 206/4885SLC6A3 3569/4885CHRM2 83/4885

“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.