SCHEMBL1678339

SCHEMBL1678339

CCCCCC([O])CCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
HTR2A P28223 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CNR2 P34972 1/20 0.47
S1PR2 O95136 2/20 0.46
S1PR1 P21453 2/20 0.46
CETP P11597 1/20 0.46
S1PR3 Q99500 1/20 0.45
HSD11B1 P28845 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
SCHEMBL1679070 0.96 KCNH2 (0.49) KCNH2HTR2ASIGMAR1ALDH1A1CNR2
SCHEMBL1678630 0.93 SIGMAR1 (0.51) KCNH2SIGMAR1S1PR2S1PR1S1PR3
SCHEMBL1678683 0.91 SIGMAR1 (0.50) KCNH2HTR2ASIGMAR1S1PR2S1PR1
SCHEMBL1678781 0.87 SIGMAR1 (0.49) KCNH2SIGMAR1
SCHEMBL1678557 0.87 MEN1 (0.46) KCNH2SIGMAR1S1PR2S1PR1S1PR3
SCHEMBL1678751 0.85 TRPA1 (0.47) KCNH2SIGMAR1S1PR2S1PR1S1PR3
Benzene SCHEMBL28454829 0.84 KCNH2 (0.68) KCNH2HTR2ASIGMAR1ALDH1A1HSD11B1
SCHEMBL35869 0.84 KCNH2 (0.68) KCNH2HTR2ASIGMAR1ALDH1A1HSD11B1
Benzene SCHEMBL28151391 0.84 KCNH2 (0.68) KCNH2HTR2ASIGMAR1ALDH1A1HSD11B1
Formaldehyde SCHEMBL27515101 0.82 KCNH2 (0.61) KCNH2HTR2ASIGMAR1ALDH1A1CETP

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 KCNH2 4863/4885HTR2A 3228/4885SIGMAR1 4028/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 KCNH2 2251/4885HTR2A 955/4885SIGMAR1 706/4885

“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.