SCHEMBL222290

SCHEMBL222290

COc1ccccc1[C@@H](C[N+](=O)[O-])C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.45
LMNA P02545 1/20 0.44
JAK2 O60674 1/20 0.44
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL222291 1.00 NPSR1 (0.48) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL22831440 0.88 NPSR1 (0.50) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL4126682 0.85 ALDH1A1 (0.49) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL29434462 0.84 ALDH1A1 (0.64) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL18106486 0.84 ALDH1A1 (0.64) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL16785486 0.84 ALDH1A1 (0.64) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL29896531 0.82 ALDH1A1 (0.52) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL219605 0.82 L3MBTL1 (0.50) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL219604 0.82 L3MBTL1 (0.50) NPSR1HTTPOLBL3MBTL1MAPT
SCHEMBL220308 0.81 CYP1A2 (0.51) HTTPOLBL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST CYP2E1, CYP11B2, CYP11B1 NPSR1 1848/4885HTT 2660/4885POLB 246/4885

“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.