SCHEMBL863151

SCHEMBL863151

CC(Oc1ccc(C#N)cc1)C(=O)OCCOC(=O)C(C)Oc1ccc(N=C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
SLC22A12 Q96S37 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 5/20 0.39
MMP3 P08254 2/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 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
SCHEMBL831494 0.91 L3MBTL1 (0.43) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL9964594 0.87 GAA (0.38) GAASMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL16262350 0.87 GAA (0.46) GAAMAPTLMNAL3MBTL1KMT2A
SCHEMBL13624641 0.84 ADRB2 (0.44) GAASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL16573653 0.84 GAA (0.40) GAASMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL830138 0.84 L3MBTL1 (0.41) GAASMN1; SMN2MAPTPPARALMNA
SCHEMBL12810621 0.83 GAA (0.38) GAAMAPTLMNAL3MBTL1KMT2A
SCHEMBL9964595 0.82 L3MBTL1 (0.37) GAASMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL16262351 0.81 L3MBTL1 (0.41) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL9967374 0.81 L3MBTL1 (0.49) GAASMN1; SMN2ALDH1A1MAPTLMNA

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-8143325-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2012-03-27 US disclosed
US-20100260702-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2010-10-14 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-20100260702-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES ALOX12, HAO2, ALOX15 GAA 1766/4885SMN1; SMN2 1816/4885ALDH1A1 219/4885

“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.