SCHEMBL1028702

SCHEMBL1028702

O=C(Cc1ccccc1)OC1(N2C(=O)C=CC2=O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PAM P19021 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 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
SCHEMBL6658175 0.77 GSK3A (0.40) ALDH1A1KMT2AHTTFAAHGSK3A
SCHEMBL1026581 0.75 SMN1; SMN2 (0.39) ALDH1A1MAPK1KMT2AHPGDTSHR
SCHEMBL28510969 0.74 ALDH1A1 (0.49) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL4633675 0.73 CYP19A1 (0.50) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL5790059 0.71 ALDH1A1 (0.40) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL4682195 0.71 ALDH1A1 (0.52) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL9340889 0.69 MAPK1 (0.50) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27682051 0.69 CYP19A1 (0.46) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27886101 0.69 CYP19A1 (0.43) CYP19A1ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL11062218 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1PAMKMT2A

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 CYP19A1 882/4885ALDH1A1 2920/4885MAPK1 2007/4885
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 CYP19A1 1171/4885ALDH1A1 2838/4885MAPK1 834/4885
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 CYP19A1 1205/4885ALDH1A1 3302/4885MAPK1 1350/4885

“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.