SCHEMBL390786

SCHEMBL390786

O=C(O)CNC(=O)OCOC(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 7/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.35
BBOX1 O75936 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL392016 0.98 ALDH1A1 (0.38) ADRB2ADRB1ADRB3ALDH1A1ATM
SCHEMBL392299 0.97 ATM (0.38) ADRB2ADRB1ADRB3ALDH1A1ATM
SCHEMBL393503 0.93 ALDH1A1 (0.37) ALDH1A1ATMKMT2AMEN1TSHR
SCHEMBL1885005 0.84 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL390378 0.79 LMNA (0.39) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL18816752 0.79 ALDH1A1 (0.38) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL3887942 0.78 ALDH1A1 (0.33) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL10099631 0.78 ALDH1A1 (0.50) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL1883879 0.78 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL18792727 0.78 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ADRB2 1931/4885ADRB1 2179/4885ADRB3 2301/4885

“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.