SCHEMBL1028010

SCHEMBL1028010

O=C1C=CC(=O)N1[C@H]1CCC[C@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MGLL Q99685 2/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EP300 Q09472 1/20 0.38
CES2 O00748 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL1027019 0.84 SLC18A2 (0.46) GSK3AGSK3BMGLL
SCHEMBL1024862 0.74 MGLL (0.35) ALDH1A1GSK3AGSK3BMGLLLMNA
SCHEMBL1027406 0.74 PSEN1 (0.47) GSK3AGSK3BMGLL
SCHEMBL1028267 0.74 PSEN1 (0.47) GSK3AGSK3BMGLL
SCHEMBL1026538 0.73 LMNA (0.34) ALDH1A1LMNACYP2C9CYP2C19
SCHEMBL1028000 0.73 ALDH1A1 (0.44) ALDH1A1GSK3AGSK3BMGLLCES2
SCHEMBL1026428 0.72 KCNA5 (0.42) GSK3AGSK3BMGLL
SCHEMBL1027623 0.71 CA1 (0.37) ALDH1A1MGLLLMNANPSR1
SCHEMBL1028867 0.71 SCN1A (0.45)
SCHEMBL1027699 0.71 ALDH1A1 (0.58) ALDH1A1F2LMNACYP2C9CYP2C19

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 HSD11B1 1167/4885ALDH1A1 2920/4885GSK3A 2337/4885
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 HSD11B1 1613/4885ALDH1A1 2838/4885GSK3A 2959/4885
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 HSD11B1 1684/4885ALDH1A1 3302/4885GSK3A 2845/4885

“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.