SCHEMBL1678747

SCHEMBL1678747

CCCCCC[N]C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
HTT P42858 1/20 0.36
PPARG P37231 5/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
HDAC11 Q96DB2 4/20 0.35
TSHR P16473 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35

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
SCHEMBL1678672 0.98 NAAA (0.37) NAAASIGMAR1MEN1KMT2ACES2
SCHEMBL1679329 0.92 HTT (0.35) NAAAMEN1KMT2ACES2CES1
SCHEMBL7309106 0.91 NAAA (0.51) NAAASIGMAR1
SCHEMBL7312858 0.89 NAAA (0.49) NAAASIGMAR1CES2CES1
SCHEMBL1679375 0.83
SCHEMBL7299667 0.82 NAAA (0.46) NAAASIGMAR1CES2CES1
SCHEMBL8386944 0.75 NAAA (0.38) NAAACES2CES1ALDH1A1HSD17B10
SCHEMBL7308569 0.74 MEN1 (0.43) NAAAMEN1KMT2ACES2CES1
SCHEMBL7303987 0.73 CES2 (0.41) NAAACES2CES1TSHRALDH1A1
SCHEMBL1678457 0.73

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 NAAA 1045/4885SIGMAR1 4028/4885MEN1 2918/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NAAA 4495/4885SIGMAR1 706/4885MEN1 4333/4885

“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.