SCHEMBL20705457

SCHEMBL20705457

CCC(CO)CNCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TRPA1 O75762 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
CTH P32929 1/20 0.30

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
SCHEMBL12841283 0.87 LMNA (0.32) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL22184008 0.80
SCHEMBL5256983 0.79 TSHR (0.64) ALDH1A1CYP3A4TSHRLMNATDP1
SCHEMBL22273339 0.77 TDP1 (0.39) ALDH1A1CYP3A4TSHRLMNAMAPT
SCHEMBL19287242 0.75 CYP2D6 (0.30)
SCHEMBL4331287 0.74 PTPRC (0.33) ALDH1A1TDP1
SCHEMBL2553608 0.74 MME (0.37) ALDH1A1MMEACECPA1ACE2
SCHEMBL288887 0.74 MME (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL19287243 0.74 ALDH1A1 (0.39) ALDH1A1MMEACECPA1ACE2
SCHEMBL14631124 0.74 CYP2D6 (0.50) ALDH1A1TSHRLMNATDP1TRPA1

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-10196423-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2019-02-05 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-10196423-B2 NPR-B agonists NPR1, NPR3, NPBWR1 ALDH1A1 4620/4885MME 1069/4885ACE 3353/4885

“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.