SCHEMBL9967374

SCHEMBL9967374

CC(Oc1ccc(C#N)cc1)C(=O)OCCOC(=O)COc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 5/20 0.45
MMP3 P08254 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL15908118 0.85 L3MBTL1 (0.49) L3MBTL1MAPTGAASMN1; SMN2LMNA
SCHEMBL829668 0.84 TDP1 (0.46) L3MBTL1MAPTGAASMN1; SMN2LMNA
SCHEMBL830138 0.82 L3MBTL1 (0.41) L3MBTL1MAPTGAASMN1; SMN2LMNA
SCHEMBL863151 0.81 GAA (0.45) L3MBTL1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL9964595 0.81 L3MBTL1 (0.37) L3MBTL1MAPTGAASMN1; SMN2LMNA
SCHEMBL7033025 0.80 LMNA (0.59) L3MBTL1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL11268274 0.80 GAA (0.47) L3MBTL1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL830970 0.80 PTGS2 (0.52) L3MBTL1MAPTALDH1A1GAALMNA
SCHEMBL8708325 0.79 HDAC1 (0.56) L3MBTL1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL863376 0.77 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1GAAMMP2

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-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL, LLC (US) 2012-06-21 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-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES HAO2, AOC2, AOC1 L3MBTL1 540/4885MAPT 2702/4885ALDH1A1 656/4885

“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.