SCHEMBL10062060

SCHEMBL10062060

O=C(NCCO)OCCOCCOC(=O)NCCO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
ACHE P22303 14/20 0.52
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10062058 1.00 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL1415884 0.88 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL6832195 0.86 ACHE (0.67) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Ammonia Solution, Strong SCHEMBL28030602 0.84 ACHE (0.64) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL763817 0.84 ACHE (0.59) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL10062061 0.82 ACHE (0.67) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL11848496 0.82 ACHE (0.61) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL606638 0.80 ACHE (0.66) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL14005076 0.80 ACHE (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL10839834 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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-8137700-B2 Main chain acid-degradable polymers for the delivery of bioactive materials U.S. DEPARTMENT OF ENERGY (US) 2012-03-20 US disclosed
US-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-09-03 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-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials CTSA, GAA, CTSB CHRNB2 4247/4885CHRNB4 4667/4885CHRNA3 4631/4885

“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.