SCHEMBL17447101

SCHEMBL17447101

CCC1OC(OCC(=O)OCc2ccccc2)C(C)C(C)C1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAAA Q02083 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 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
SCHEMBL17447137 0.88 KMT2A (0.42) LGALS8ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL15280895 0.83 FGF1 (0.39) ALDH1A1MAPK1L3MBTL1TSHRTDP1
SCHEMBL12919676 0.77 L3MBTL1 (0.39) LGALS8L3MBTL1SLC6A2
SCHEMBL16248755 0.76 ALDH1A1 (0.45) LGALS8ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL12564362 0.76 HTT (0.46) ALDH1A1MAPK1L3MBTL1NAAATSHR
SCHEMBL12919667 0.76 L3MBTL1 (0.43) LGALS8ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL14330356 0.76 NT5E (0.42) L3MBTL1SLC6A2
SCHEMBL4404459 0.74 SLC6A2 (0.40) LGALS8SLC6A2
SCHEMBL16640651 0.74 SLC6A2 (0.40) LGALS8SLC6A2
SCHEMBL9604424 0.74 ALDH1A1 (0.42) LGALS8ALDH1A1MAPK1L3MBTL1TSHR

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 LGALS8 276/4885ALDH1A1 2820/4885MAPK1 222/4885

“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.