SCHEMBL392016

SCHEMBL392016

O=C(O)CNC(=O)OCOC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
BBOX1 O75936 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL390786 0.98 ADRB2 (0.37) ALDH1A1BBOX1ASPHKDM8EGLN1
SCHEMBL392299 0.95 ATM (0.38) ALDH1A1EGLN1ADRB2ADRB1ADRB3
SCHEMBL393503 0.92 ALDH1A1 (0.37) ALDH1A1EGLN1MAPTL3MBTL1ATM
SCHEMBL1885005 0.86 ALDH1A1 (0.37) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL18816752 0.81 ALDH1A1 (0.38) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL10099631 0.80 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL3887942 0.80 ALDH1A1 (0.33) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL18792727 0.79 ALDH1A1 (0.40) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL1883879 0.79 ALDH1A1 (0.37) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL393242 0.79 LMNA (0.41) ALDH1A1BBOX1ASPHKDM8EGLN1

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 ALDH1A1 1826/4885BBOX1 2652/4885ASPH 2724/4885

“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.