SCHEMBL3685129

SCHEMBL3685129

CC(C)Nc1ccc(NC(C)C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
ABL1 P00519 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL11808580 0.83 IDO1 (0.47) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL6130191 0.79 LMNA (0.50) IDO1TDP1ALDH1A1LMNAALOX15
SCHEMBL453729 0.79 TRPA1 (0.50) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL10080364 0.78 CA3 (0.45) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL3724489 0.75 TDP1 (0.46) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL15981394 0.75 IDO1 (0.41) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL14355890 0.75 ALOX15 (0.50) ALDH1A1LMNACYP3A4ALOX15TSHR
SCHEMBL25069190 0.73 IDO1 (0.43) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL14453838 0.73 IDO1 (0.43) IDO1TDP1ALDH1A1RECQLL3MBTL1
SCHEMBL3720647 0.73 ALOX15 (0.45) IDO1TDP1ALDH1A1RECQLL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849763-B1 METHOD FOR SYNTHESIZING t-BUTYL (METH)ACRYLATE MITSUBISHI RAYON CO (JP) 2013-09-18 EP disclosed
US-7803964-B2 Method for synthesizing t-butyl (meth)Acrylate MITSUBISHI RAYON CO., LTD. (JP) 2010-09-28 US disclosed
US-20090012327-A1 METHOD FOR SYNTHESIZING T-BUTYL (METH)ACRYLATE MITSUBISHI RAYON CO., LTD. (JP) 2009-01-08 US disclosed
EP-1849763-A1 METHOD FOR SYNTHESIZING t-BUTYL (METH)ACRYLATE Mitsubishi Rayon Co., Ltd. (JP) 2007-10-31 EP 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-20090012327-A1 METHOD FOR SYNTHESIZING T-BUTYL (METH)ACRYLATE ADH1A, ADH5, MMAB IDO1 3133/4885TDP1 817/4885ALDH1A1 124/4885

“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.