SCHEMBL832699

SCHEMBL832699

O=C(O)c1ccc(OCCc2ccc(C3CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
PKM P14618 1/20 0.51
S1PR1 P21453 1/20 0.49
NR4A2 P43354 3/20 0.49
FFAR1 O14842 1/20 0.49
PLA2G4B P0C869 2/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL832746 0.83 USP5 (0.52) MRGPRX4S1PR1FFAR1FFAR4NPC1
SCHEMBL14967365 0.80 NR4A2 (0.73) PKMNR4A2FFAR1PLA2G4BCYP4F2
SCHEMBL4327125 0.80 PKM (0.73) PKMNR4A2FFAR1PLA2G4BMAPK1
SCHEMBL5390756 0.80 PKM (0.73) PKMNR4A2FFAR1PLA2G4BMAPK1
SCHEMBL4374627 0.79 NR4A2 (0.71) MRGPRX4PKMNR4A2FFAR1PLA2G4B
SCHEMBL14967104 0.79 PKM (0.57) PKMNR4A2FFAR1PLA2G4BMAPK1
SCHEMBL21274803 0.78 PARP10 (0.56) MRGPRX4TP53TSHRRXRARXRB
Hydrochloric Acid SCHEMBL27883512 0.78 KCNH2 (0.49) S1PR1FFAR4
Hydrochloric Acid SCHEMBL27883509 0.78 HRH3 (0.41) MRGPRX4S1PR1FFAR1FFAR4NPC1
SCHEMBL901207 0.78 TSHR (0.57) MRGPRX4TP53TSHRNPC1RAB9A

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 MRGPRX4 876/4885PKM 3087/4885S1PR1 2884/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S MRGPRX4 876/4885PKM 3087/4885S1PR1 2884/4885

“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.