SCHEMBL1027406

SCHEMBL1027406

O=C1C=CC(=O)N1[C@@H]1CCC[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
CTSV O60911 1/20 0.45
CTSS P25774 1/20 0.45
CTSC P53634 1/20 0.45
CTSF Q9UBX1 1/20 0.45
SCN9A Q15858 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KCNA5 P22460 1/20 0.39
POLB P06746 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 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
SCHEMBL1028267 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1026428 0.86 KCNA5 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3840671 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3840673 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20995912 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1028700 0.78 CYP19A1 (0.43) MGLL
SCHEMBL1027624 0.78 TSHR (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1024864 0.77 ALDH1A1 (0.41) CTSLCTSBCTSKCTSVCTSS
SCHEMBL1024748 0.76 MAPK1 (0.34) GSK3AGSK3BMGLL
SCHEMBL14436545 0.76 KCNA5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479669-B1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography TOSOH CORP (JP) 2011-01-19 EP disclosed
US-7645889-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2010-01-12 US disclosed
US-20080230482-A1 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-09-25 US disclosed
US-7381742-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-06-03 US disclosed
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-06-14 US disclosed
US-7186750-B2 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-03-06 US disclosed
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2004-11-25 US disclosed
EP-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 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 (3 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-20080230482-A1 Optically active polymaleimide derivatives and process for their production CYBA, COASY, MEP1B PSEN1 1852/4885PSEN2 1354/4885APH1B 257/4885
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, CYBA PSEN1 1570/4885PSEN2 1244/4885APH1B 401/4885
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, ACMSD PSEN1 1919/4885PSEN2 1299/4885APH1B 481/4885

“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.