SCHEMBL4934018

SCHEMBL4934018

O=C(O)CC(=O)OC(=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4934011 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL28175044 0.80 TP53 (0.38) SMN1; SMN2HTTKMT2AALDH1A1POLB
SCHEMBL776049 0.78 ALDH1A1 (0.43) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL777338 0.77 CES2 (0.37) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL7807159 0.77 ALDH1A1 (0.46) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL386768 0.77 CES2 (0.50) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL18126504 0.75 NAAA (0.44) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL777438 0.75 CES2 (0.41) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL28538091 0.75 CES2 (0.41) SMN1; SMN2ADRB2ADRB1ADRB3CES2
SCHEMBL11862575 0.74 CES2 (0.55) SMN1; SMN2CES2CES1HDAC8HDAC6

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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors PDE4A, PDE4B, PDE3B SMN1; SMN2 4160/4885ADRB2 86/4885ADRB1 51/4885

“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.