SCHEMBL1678737

SCHEMBL1678737

CCCCCC(CCCC)NC(CCCC)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.46
OPRM1 P35372 1/20 0.43
LMNA P02545 1/20 0.40
EPHX1 P07099 1/20 0.39
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
PLA2G2C Q5R387 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
CA2 P00918 1/20 0.38
FDPS P14324 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL12479965 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL9468275 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL13851797 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL11681882 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL11701212 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL20054095 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL12479364 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL5692575 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL10565724 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR
SCHEMBL8010945 0.94 TSHR (0.47) DNM1OPRM1LMNAEPHX1TSHR

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 DNM1 4685/4885OPRM1 3314/4885LMNA 2091/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885OPRM1 994/4885LMNA 3203/4885

“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.