SCHEMBL833898

SCHEMBL833898

O=Cc1ccc(C2=CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.45
PTGES2 Q9H7Z7 1/20 0.42
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A6 P11509 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS2 P35354 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL2649047 0.94 ACMSD (0.46) ACMSDPTGES2TRIM24TRIM33ALDH1A1
SCHEMBL6047065 0.85 CYP2A6 (0.42) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4175163 0.80 ACMSD (0.43) ACMSDPTGES2TRIM24TRIM33ALDH1A1
SCHEMBL10492857 0.79 ALDH1A1 (0.46) ACMSDPTGES2ALDH1A1KCNH2HRH3
SCHEMBL10829185 0.79 ACMSD (0.41) ACMSDPTGES2KCNH2HRH3HDAC3
SCHEMBL4181047 0.74 TRIM24 (0.30) TRIM24TRIM33
SCHEMBL5387785 0.74 PSMB5 (0.38) ACMSD
SCHEMBL10793933 0.74 ACMSD (0.53) ACMSDALDH1A1KCNH2HRH3HDAC3
SCHEMBL10492496 0.73 ALDH1A1 (0.44) ACMSDPTGES2ALDH1A1KCNH2HRH3
SCHEMBL676294 0.72 ACMSD (0.41) ACMSDPTGES2KCNH2HRH3HDAC3

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
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US disclosed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (4 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ACMSD 88/4885PTGES2 1525/4885TRIM24 3280/4885
US-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 ACMSD 4831/4885PTGES2 329/4885TRIM24 4427/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 ACMSD 4789/4885PTGES2 318/4885TRIM24 4417/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ACMSD 88/4885PTGES2 1525/4885TRIM24 3280/4885

“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.