SCHEMBL1679209

SCHEMBL1679209

CCCC([O])(CC)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1679394 0.93 KCNH2 (0.48) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL1678550 0.91 ADRA1A (0.46) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL1678864 0.79 TP53 (0.42) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL1678141 0.78 MEN1 (0.46) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL20343995 0.73 SLC6A2 (0.44) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL7369859 0.73 KCNH2 (0.43) ADRA1ASLC6A3KCNH2CHRM2HTR1A
SCHEMBL9545400 0.73 POLB (0.44) ADRA1ASLC6A3KCNH2CHRM2HTR1A
Butylbenzyl SCHEMBL27646846 0.72 SIGMAR1 (0.55) ADRA1ASLC6A3KCNH2CHRM2HTR1A
Butylbenzyl SCHEMBL27286928 0.72 SIGMAR1 (0.55) ADRA1ASLC6A3KCNH2CHRM2HTR1A
Butylbenzyl SCHEMBL28163480 0.72 SIGMAR1 (0.55) ADRA1ASLC6A3KCNH2CHRM2HTR1A

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 ADRA1A 979/4885SLC6A3 4041/4885KCNH2 4863/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ADRA1A 206/4885SLC6A3 3569/4885KCNH2 2251/4885

“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.