SCHEMBL17447100

SCHEMBL17447100

COCCn1cc(CCC(C)=O)nn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
CSNK2A1 P68400 1/20 0.41
DGAT1 O75907 5/20 0.40
ICMT O60725 2/20 0.40
EPHX2 P34913 1/20 0.39
ALOX5 P09917 2/20 0.38
GGPS1 O95749 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL17776309 0.87 CSNK2A1 (0.41) HDAC1CSNK2A1DGAT1ICMTEPHX2
SCHEMBL12640254 0.86 HDAC1 (0.46) HDAC1CSNK2A1ICMTEPHX2GGPS1
SCHEMBL18768815 0.85 LGALS3 (0.40) HDAC1CSNK2A1DGAT1EPHX2ALOX5
SCHEMBL18770918 0.83 DRD2 (0.42) DGAT1EPHX2
SCHEMBL17776274 0.83 EPHX2 (0.46) HDAC1CSNK2A1EPHX2ALOX5
SCHEMBL17490608 0.83 EPHX2 (0.46) HDAC1CSNK2A1EPHX2GGPS1
SCHEMBL13437065 0.82 FOLH1 (0.46) HDAC1CSNK2A1EPHX2
SCHEMBL18768813 0.82 EPHX2 (0.51) HDAC1EPHX2
SCHEMBL19652456 0.81 DRD2 (0.39) HDAC1CSNK2A1DGAT1ICMTEPHX2
SCHEMBL25341129 0.81 DGAT1 (0.54) DGAT1FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017015-A1 GLYCO-MODIFIED ATRIAL NATRIURETIC PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 US 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 (1 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-20160017015-A1 GLYCO-MODIFIED ATRIAL NATRIURETIC PEPTIDE NPPA, NPR1, NPR3 HDAC1 2067/4885CSNK2A1 2397/4885DGAT1 2348/4885

“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.