SCHEMBL834837

SCHEMBL834837

CN(C)c1ccc(CCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.53
PPARG P37231 2/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MCL1 Q07820 1/20 0.51
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
PLA2G4B P0C869 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A2 P43354 1/20 0.50
FFAR1 O14842 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13589633 0.84 NPC1 (0.62) TSHRMAPK1RAB9AHSD17B10KDM4E
SCHEMBL14967104 0.83 PKM (0.57) PKMTSHRMAPK1TP53RAB9A
SCHEMBL833394 0.83 RAB9A (0.53) PPARGTSHRRAB9AHSD17B10KDM4E
SCHEMBL6382457 0.83 PPARG (0.59) PPARGALDH1A1FFAR1KMT2AAPP
SCHEMBL14967365 0.81 NR4A2 (0.73) PKMTSHRMAPK1TP53RAB9A
SCHEMBL5390756 0.81 PKM (0.73) BCL2PPARGPKMTSHRMAPK1
SCHEMBL4327125 0.81 PKM (0.73) PPARGPKMTSHRMAPK1TP53
SCHEMBL4374627 0.80 NR4A2 (0.71) BCL2PPARGPKMTSHRMAPK1
SCHEMBL3039207 0.80 MEN1 (0.59) BCL2PKMTSHRPLA2G4BFFAR1
SCHEMBL9336519 0.79 MAPK1 (0.63) PPARGPKMTSHRMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 BCL2 3523/4885PPARG 2669/4885PKM 3087/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S BCL2 3523/4885PPARG 2669/4885PKM 3087/4885

“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.